data_2arf_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 2arf _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 1037 ' ' PRO . . . . . 0.431 ' HB2' ' CG2' ' A' 1194 ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 110.931 -0.45 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1038 ' ' ARG . . . . . 0.751 ' O ' HG22 ' A' 1194 ' ' ILE . 5.5 mtp180 -135.88 154.79 51.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1039 ' ' VAL . . . . . . . . . . . . . 64.6 t -72.46 136.89 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.24 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1040 ' ' MET . . . . . . . . . . . . . 13.3 tpt -103.99 -44.09 5.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 6.4 ptt180 -169.8 157.09 6.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.413 1.071 . . . . 0.0 110.302 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -117.95 138.98 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.82 149.81 40.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 2.8 mt -77.45 136.08 38.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1045 ' ' LEU . . . . . 0.554 ' O ' ' CB ' ' A' 1188 ' ' LEU . 2.1 tp -144.72 22.5 1.61 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.416 1.072 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1046 ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -119.51 -151.85 8.95 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 10.1 t0 175.93 162.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 109.278 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1048 ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' 1051 ' ' LEU . 34.5 t -93.99 24.82 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -94.67 -12.26 27.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1050 ' ' THR . . . . . 0.473 ' O ' ' CD1' ' A' 1051 ' ' LEU . 18.9 m -118.37 -35.23 3.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.45 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1051 ' ' LEU . . . . . 0.494 HD22 ' HD2' ' A' 1052 ' ' PRO . 0.1 OUTLIER -173.63 168.31 2.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1052 ' ' PRO . . . . . 0.494 ' HD2' HD22 ' A' 1051 ' ' LEU . 18.3 Cg_endo -75.09 133.13 16.08 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.525 1.803 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1053 ' ' LEU . . . . . 0.429 ' HG ' ' CD1' ' A' 1057 ' ' LEU . 9.9 tp -68.27 -26.05 65.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -49.05 72.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -48.13 73.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1056 ' ' VAL . . . . . 0.496 ' O ' HG11 ' A' 1059 ' ' VAL . 3.5 t -58.58 -38.51 71.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.202 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1057 ' ' LEU . . . . . 0.429 ' CD1' ' HG ' ' A' 1053 ' ' LEU . 12.8 mt -67.53 -34.3 76.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1058 ' ' ALA . . . . . 0.433 ' O ' ' OG1' ' A' 1062 ' ' THR . . . -61.58 -50.55 72.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1059 ' ' VAL . . . . . 0.634 HG23 ' CD2' ' A' 1090 ' ' TYR . 9.2 p -70.15 -43.65 78.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.224 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1060 ' ' VAL . . . . . 0.525 ' O ' ' CG ' ' A' 1064 ' ' GLU . 3.9 t -57.52 -36.35 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1061 ' ' GLY . . . . . 0.416 ' O ' HG22 ' A' 1076 ' ' THR . . . -73.97 -36.64 51.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1062 ' ' THR . . . . . 0.534 ' CG2' ' HB2' ' A' 1090 ' ' TYR . 10.4 m -60.68 -39.96 90.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 110.44 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1063 ' ' ALA . . . . . . . . . . . . . . . -84.45 -42.25 15.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1064 ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' 1060 ' ' VAL . 4.5 mm-40 -54.63 -45.48 73.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1065 ' ' ALA . . . . . 0.514 ' HB3' HG21 ' A' 1076 ' ' THR . . . -75.56 -22.16 57.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1066 ' ' SER . . . . . 0.601 ' O ' ' CB ' ' A' 1067 ' ' SER . 3.1 t -62.1 -12.78 21.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.027 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1067 ' ' SER . . . . . 0.601 ' CB ' ' O ' ' A' 1066 ' ' SER . 3.9 p 94.56 152.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1068 ' ' GLU . . . . . 0.519 ' CB ' ' O ' ' A' 1067 ' ' SER . 1.0 OUTLIER 159.2 -28.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1069 ' ' HIS . . . . . 0.491 ' CD2' ' HD2' ' A' 1070 ' ' PRO . 11.4 t60 -127.11 140.06 36.81 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.649 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1070 ' ' PRO . . . . . 0.491 ' HD2' ' CD2' ' A' 1069 ' ' HIS . 18.4 Cg_endo -74.9 44.2 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.773 . . . . 0.0 111.041 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1071 ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' 1070 ' ' PRO . 0.2 OUTLIER 174.11 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 -179.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -56.9 -38.13 82.55 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1073 ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' 1074 ' ' ALA . 0.3 OUTLIER -62.96 -47.9 90.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1074 ' ' ALA . . . . . 0.466 ' N ' ' CG1' ' A' 1073 ' ' VAL . . . -67.1 -33.0 74.52 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1075 ' ' VAL . . . . . . . . . . . . . 34.7 t -64.42 -51.46 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.213 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1076 ' ' THR . . . . . 0.514 HG21 ' HB3' ' A' 1065 ' ' ALA . 0.8 OUTLIER -65.29 -50.39 65.88 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.49 1.119 . . . . 0.0 110.395 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -37.37 71.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1078 ' ' TYR . . . . . 0.441 ' CB ' ' O ' ' A' 1074 ' ' ALA . 18.9 t80 -66.55 -50.21 63.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 111.048 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1079 ' ' CYS . . . . . 0.469 ' O ' ' CD1' ' A' 1083 ' ' LEU . 5.0 p -61.29 -34.36 75.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.254 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -46.5 88.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.402 1.064 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.81 -35.9 81.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.53 -21.49 48.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1083 ' ' LEU . . . . . 0.469 ' CD1' ' O ' ' A' 1079 ' ' CYS . 1.7 mt -83.95 -23.85 30.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 76.18 29.36 58.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.143 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1085 ' ' THR . . . . . . . . . . . . . 1.6 p -136.71 121.33 18.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 110.39 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1086 ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' 1087 ' ' THR . 11.4 pt-20 -93.78 25.73 3.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.475 ' O ' ' CD1' ' A' 1088 ' ' LEU . 5.1 m -36.35 146.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.343 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1088 ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' 1087 ' ' THR . 0.0 OUTLIER 169.08 114.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 171.71 36.4 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1090 ' ' TYR . . . . . 0.634 ' CD2' HG23 ' A' 1059 ' ' VAL . 0.1 OUTLIER -115.32 154.25 29.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.987 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1091 ' ' CYS . . . . . 0.581 ' O ' ' HA ' ' A' 1106 ' ' VAL . 53.8 t -109.45 114.25 27.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 108.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1092 ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' 1105 ' ' LYS . 0.2 OUTLIER -94.02 165.74 12.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 110.398 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -160.9 81.73 0.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1094 ' ' PHE . . . . . 0.466 ' HA ' ' CB ' ' A' 1104 ' ' CYS . 1.5 p90 -73.24 166.76 22.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -178.57 146.7 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 110.245 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -105.72 129.57 53.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 1.4 t -114.74 131.0 23.64 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 149.75 36.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.556 1.819 . . . . 0.0 110.983 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 56.31 32.21 60.27 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.423 1.077 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1100 ' ' CYS . . . . . 0.437 ' O ' ' CG ' ' A' 1153 ' ' TRP . 86.2 m -150.59 -68.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 150.75 -131.56 3.59 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.579 1.175 . . . . 0.0 111.006 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -116.81 156.44 18.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -157.5 162.49 32.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1104 ' ' CYS . . . . . 0.466 ' CB ' ' HA ' ' A' 1094 ' ' PHE . 31.4 p -163.21 158.26 21.42 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1105 ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' 1092 ' ' THR . 4.4 mtpt -129.37 153.22 48.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.386 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1106 ' ' VAL . . . . . 0.581 ' HA ' ' O ' ' A' 1091 ' ' CYS . 6.3 p -144.44 126.73 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1107 ' ' SER . . . . . 0.465 ' CB ' ' OG1' ' A' 1143 ' ' THR . 1.5 p -150.67 142.51 23.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1108 ' ' ASN . . . . . 0.473 HD21 ' N ' ' A' 1091 ' ' CYS . 1.0 OUTLIER 162.92 -32.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1109 ' ' VAL . . . . . 0.528 ' CG1' ' OH ' ' A' 1090 ' ' TYR . 5.7 p -45.0 -27.58 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.225 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -70.09 -46.64 64.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1111 ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' 1108 ' ' ASN . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.454 -0.84 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -72.61 121.43 19.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 110.295 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1143 ' ' THR . . . . . 0.465 ' OG1' ' CB ' ' A' 1107 ' ' SER . 1.9 m -120.69 133.66 55.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.457 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -106.69 142.04 36.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1145 ' ' SER . . . . . . . . . . . . . 26.0 t -119.17 127.43 53.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1146 ' ' VAL . . . . . 0.468 ' CG2' HG13 ' A' 1184 ' ' ILE . 40.4 t -118.11 125.82 74.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 5.2 mt -108.29 138.36 44.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1148 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.63 154.37 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 157.35 -162.13 31.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.138 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 11.0 m120 -68.7 155.6 39.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1151 ' ' ARG . . . . . 0.531 ' HG2' HD11 ' A' 1181 ' ' LEU . 33.2 mtp180 -59.59 -34.02 72.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1152 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.69 -37.02 84.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1153 ' ' TRP . . . . . 0.437 ' CG ' ' O ' ' A' 1100 ' ' CYS . 2.7 t-105 -60.75 -52.36 65.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1154 ' ' LEU . . . . . 0.508 ' CD1' ' CB ' ' A' 1183 ' ' ALA . 3.6 mm? -61.78 -41.12 97.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1155 ' ' ARG . . . . . 0.463 ' NH2' HD11 ' A' 1161 ' ' ILE . 0.5 OUTLIER -56.85 -48.79 77.25 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.72 -24.24 62.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 55.1 t30 -64.37 -46.32 83.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 160.38 56.24 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1159 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.91 -160.37 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1160 ' ' THR . . . . . . . . . . . . . 2.4 m -107.75 -169.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.366 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1161 ' ' ILE . . . . . 0.463 HD11 ' NH2' ' A' 1155 ' ' ARG . 26.8 mt 59.17 160.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1162 ' ' SER . . . . . 0.439 ' N ' ' CG2' ' A' 1161 ' ' ILE . 36.4 t -76.76 144.24 39.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1163 ' ' SER . . . . . 0.421 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.3 OUTLIER -65.01 -36.2 83.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.584 1.178 . . . . 0.0 110.042 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 19.7 t0 -71.02 -39.87 72.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 37.2 t -64.36 -50.65 75.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1166 ' ' SER . . . . . 0.417 ' CB ' ' HE ' ' A' 1155 ' ' ARG . 6.0 t -68.43 -34.51 76.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1167 ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' 1163 ' ' SER . 4.0 t70 -64.9 -45.66 84.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1168 ' ' ALA . . . . . 0.576 ' O ' ' CD2' ' A' 1172 ' ' HIS . . . -64.87 -36.16 83.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -49.97 65.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1170 ' ' THR . . . . . . . . . . . . . 2.5 m -63.46 -48.75 76.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.42 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1171 ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.1 OUTLIER -61.27 -42.77 99.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1172 ' ' HIS . . . . . 0.576 ' CD2' ' O ' ' A' 1168 ' ' ALA . 10.6 m170 -54.44 -46.58 73.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.546 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1173 ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' 1177 ' ' GLN . 0.2 OUTLIER -57.11 -37.38 71.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.69 -10.37 8.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 16.9 tttt -86.3 10.47 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -160.87 -56.27 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1177 ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' 1173 ' ' GLU . 7.4 pt20 -125.51 174.16 8.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1178 ' ' THR . . . . . . . . . . . . . 22.0 m -108.53 119.86 40.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.468 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -112.84 130.15 56.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1180 ' ' ILE . . . . . 0.443 HD12 ' CG2' ' A' 1192 ' ' ILE . 30.8 pt -135.9 129.79 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1181 ' ' LEU . . . . . 0.531 HD11 ' HG2' ' A' 1151 ' ' ARG . 1.2 mp -102.42 138.36 39.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.384 1.053 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1182 ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' 1190 ' ' GLY . 1.0 OUTLIER -119.58 119.52 60.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1183 ' ' ALA . . . . . 0.508 ' CB ' ' CD1' ' A' 1154 ' ' LEU . . . -118.0 149.75 40.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1184 ' ' ILE . . . . . 0.509 HD13 ' SG ' ' A' 1189 ' ' CYS . 0.7 OUTLIER -108.82 115.41 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 3.5 t0 54.44 39.4 31.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.26 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.46 14.79 77.29 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.105 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1187 ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' 1184 ' ' ILE . 0.3 OUTLIER -113.82 153.74 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.347 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1188 ' ' LEU . . . . . 0.554 ' CB ' ' O ' ' A' 1045 ' ' LEU . 0.4 OUTLIER -61.15 142.18 56.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1189 ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' 1046 ' ' GLY . 5.5 t -145.1 -62.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 108.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1190 ' ' GLY . . . . . 0.478 ' HA2' ' N ' ' A' 1045 ' ' LEU . . . 178.44 159.39 22.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1191 ' ' MET . . . . . 0.444 ' CB ' HD12 ' A' 1181 ' ' LEU . 4.5 ptm -123.55 148.88 45.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 0.746 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1192 ' ' ILE . . . . . 0.443 ' CG2' HD12 ' A' 1180 ' ' ILE . 19.5 mt -108.12 130.86 59.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -111.0 121.84 46.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.24 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1194 ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' 1038 ' ' ARG . 2.4 mt -107.58 136.78 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -140.64 106.86 5.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 5.4 t70 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1038 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.86 160.04 39.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.326 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1039 ' ' VAL . . . . . 0.404 HG23 HG22 ' A' 1192 ' ' ILE . 12.6 p -74.71 132.19 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1040 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.42 -41.8 11.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 5.3 ptt-85 -168.06 156.08 8.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.515 1.135 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -118.71 138.14 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.147 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.23 146.97 29.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.517 ' C ' ' CD2' ' A' 1045 ' ' LEU . 3.2 mt -84.66 126.04 33.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1045 ' ' LEU . . . . . 0.58 ' O ' ' HB3' ' A' 1188 ' ' LEU . 2.6 mm? -141.4 29.86 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1046 ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -133.32 117.94 2.02 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.12 124.62 25.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1048 ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' 1053 ' ' LEU . 2.4 t -94.24 31.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -93.05 -15.76 25.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1050 ' ' THR . . . . . . . . . . . . . 2.4 m -127.74 -35.9 2.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1051 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.54 144.11 28.87 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 133.48 16.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1053 ' ' LEU . . . . . 0.459 ' HB2' ' CG1' ' A' 1048 ' ' VAL . 17.1 tp -78.21 -34.37 49.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -40.96 90.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 110.357 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -49.5 44.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1056 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -37.08 72.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.595 1.184 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.61 -45.34 90.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.53 86.02 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.432 1.082 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 92.5 t -59.38 -47.02 92.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.364 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1060 ' ' VAL . . . . . . . . . . . . . 53.7 t -66.64 -35.16 74.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1061 ' ' GLY . . . . . 0.455 ' HA2' ' CG2' ' A' 1076 ' ' THR . . . -61.52 -46.86 93.46 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1062 ' ' THR . . . . . 0.48 HG22 ' HB3' ' A' 1090 ' ' TYR . 86.0 m -74.64 -30.47 61.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 0.763 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1063 ' ' ALA . . . . . 0.732 ' CB ' ' CE2' ' A' 1090 ' ' TYR . . . -65.01 -55.29 19.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1064 ' ' GLU . . . . . 0.424 ' HB2' HG22 ' A' 1076 ' ' THR . 2.9 mt-10 -63.02 -46.78 85.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1065 ' ' ALA . . . . . 0.432 ' HA ' ' CG2' ' A' 1073 ' ' VAL . . . -62.2 -23.21 66.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1066 ' ' SER . . . . . . . . . . . . . 8.4 t -105.5 19.01 21.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1067 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.02 -150.27 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.044 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1068 ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -135.04 26.18 3.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1069 ' ' HIS . . . . . . . . . . . . . 1.6 t60 -91.21 130.06 41.3 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.628 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1070 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 2.68 6.34 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.564 1.823 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1071 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.35 -45.49 1.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1072 ' ' GLY . . . . . 0.407 ' O ' ' OG1' ' A' 1076 ' ' THR . . . -60.04 -40.76 97.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1073 ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' 1065 ' ' ALA . 0.3 OUTLIER -72.74 -36.42 52.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 109.335 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -69.02 -36.16 77.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1075 ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' 1076 ' ' THR . 0.4 OUTLIER -67.11 -48.71 78.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1076 ' ' THR . . . . . 0.466 ' N ' ' CG1' ' A' 1075 ' ' VAL . 1.2 p -67.14 -48.28 68.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.75 -37.75 71.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 13.4 t80 -64.89 -50.49 66.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 111.016 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1079 ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' A' 1076 ' ' THR . 2.1 p -59.4 -35.36 73.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 108.324 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 2.5 mttp -62.59 -43.28 99.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -37.41 86.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.15 . . . . 0.0 110.362 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.85 -20.82 48.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 2.4 mt -83.61 -23.82 31.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 88.1 14.92 61.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1085 ' ' THR . . . . . . . . . . . . . 1.8 p -137.19 120.88 17.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.372 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -100.36 -31.14 11.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 9.6 t -40.38 153.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1088 ' ' LEU . . . . . . . . . . . . . 58.9 mt -115.81 -169.15 1.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1089 ' ' GLY . . . . . 0.534 ' O ' ' CG ' ' A' 1108 ' ' ASN . . . 168.25 38.85 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1090 ' ' TYR . . . . . 0.732 ' CE2' ' CB ' ' A' 1063 ' ' ALA . 8.1 t80 -126.39 125.01 41.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1091 ' ' CYS . . . . . 0.67 ' O ' ' HA ' ' A' 1106 ' ' VAL . 17.6 t -96.38 130.96 43.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 108.271 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1092 ' ' THR . . . . . . . . . . . . . 8.7 p -94.23 139.07 31.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -170.77 77.76 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1094 ' ' PHE . . . . . 0.513 ' HA ' ' HA ' ' A' 1104 ' ' CYS . 51.0 p90 -106.86 -167.85 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 178.21 164.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -100.9 132.33 46.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 2.3 t -114.89 125.05 29.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 152.56 40.59 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 49.81 26.66 8.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1100 ' ' CYS . . . . . 0.535 ' HB3' ' CH2' ' A' 1153 ' ' TRP . 33.3 m -141.93 -74.51 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 161.47 -125.57 1.46 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.609 1.193 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 13.0 pt -132.78 135.76 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -129.01 127.58 5.59 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1104 ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' 1094 ' ' PHE . 19.9 p -116.58 140.69 49.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1105 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -121.8 153.41 38.36 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1106 ' ' VAL . . . . . 0.67 ' HA ' ' O ' ' A' 1091 ' ' CYS . 0.9 OUTLIER -141.84 150.38 19.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1107 ' ' SER . . . . . 0.667 ' O ' ' CB ' ' A' 1108 ' ' ASN . 0.9 OUTLIER -150.86 149.84 30.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1108 ' ' ASN . . . . . 0.667 ' CB ' ' O ' ' A' 1107 ' ' SER . 3.6 t-20 141.33 -57.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1109 ' ' VAL . . . . . . . . . . . . . 5.8 m -51.09 -18.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1110 ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' 1108 ' ' ASN . 2.6 pt-20 -62.8 -46.72 86.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.095 0 O-C-N 124.487 1.117 . . . . 0.0 110.946 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.079 -0.393 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1142 ' ' GLN . . . . . 0.426 ' O ' ' CD ' ' A' 1110 ' ' GLU . 2.3 tt0 -112.95 111.95 23.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.223 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1143 ' ' THR . . . . . . . . . . . . . 10.3 t -106.36 136.14 46.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.375 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -104.57 134.46 47.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1145 ' ' SER . . . . . . . . . . . . . 59.8 p -119.53 131.5 55.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.993 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1146 ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' 1183 ' ' ALA . 80.5 t -117.67 138.78 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 3.5 mt -107.06 121.53 44.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1148 ' ' ILE . . . . . 0.431 ' HB ' HG23 ' A' 1182 ' ' VAL . 0.2 OUTLIER -119.12 153.34 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.175 . . . . 0.0 109.232 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 159.98 -172.72 36.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 5.2 m120 -69.16 174.08 4.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1151 ' ' ARG . . . . . 0.402 ' CB ' ' HB ' ' A' 1170 ' ' THR . 18.7 ttm-85 -63.12 -29.08 70.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1152 ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.08 -44.81 87.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.351 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1153 ' ' TRP . . . . . 0.535 ' CH2' ' HB3' ' A' 1100 ' ' CYS . 18.6 t-105 -61.89 -45.9 91.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 108.005 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1154 ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.56 -36.78 83.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1155 ' ' ARG . . . . . 0.494 ' NH1' ' N ' ' A' 1163 ' ' SER . 3.4 mmm-85 -58.0 -49.85 75.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -25.92 63.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.35 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -63.53 -43.3 97.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 153.73 55.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.561 1.163 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.423 ' O ' ' NE ' ' A' 1155 ' ' ARG . 0.2 OUTLIER -125.0 133.71 52.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1160 ' ' THR . . . . . . . . . . . . . 2.2 m -69.98 -165.52 0.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1161 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 78.8 160.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1162 ' ' SER . . . . . . . . . . . . . 41.0 t -69.78 143.91 52.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1163 ' ' SER . . . . . 0.494 ' N ' ' NH1' ' A' 1155 ' ' ARG . 0.2 OUTLIER -66.53 -34.07 77.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.95 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1164 ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' 1168 ' ' ALA . 24.0 t0 -70.87 -35.19 72.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.393 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 56.0 t -71.84 -49.7 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1166 ' ' SER . . . . . . . . . . . . . 6.4 t -65.29 -46.08 81.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1167 ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' 1163 ' ' SER . 21.1 t70 -63.11 -44.09 96.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1168 ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' 1164 ' ' ASP . . . -62.96 -37.12 85.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 3.9 mtt -66.71 -48.82 68.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1170 ' ' THR . . . . . 0.435 ' CG2' ' N ' ' A' 1171 ' ' ASP . 0.7 OUTLIER -63.22 -47.78 81.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.36 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1171 ' ' ASP . . . . . 0.435 ' N ' ' CG2' ' A' 1170 ' ' THR . 0.1 OUTLIER -63.65 -39.45 94.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -56.15 -47.59 77.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.593 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1173 ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' 1177 ' ' GLN . 1.4 tp10 -59.5 -45.48 91.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.34 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -10.46 17.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.19 10.9 15.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -158.43 -57.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1177 ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' 1173 ' ' GLU . 38.8 mt-30 -126.56 174.14 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1178 ' ' THR . . . . . . . . . . . . . 1.1 p -99.95 119.86 38.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -117.37 127.77 54.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1180 ' ' ILE . . . . . . . . . . . . . 25.2 pt -131.42 130.39 62.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1181 ' ' LEU . . . . . . . . . . . . . 4.7 mp -105.41 136.6 44.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1182 ' ' VAL . . . . . 0.531 HG11 ' O ' ' A' 1190 ' ' GLY . 0.4 OUTLIER -119.7 130.94 73.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1183 ' ' ALA . . . . . 0.495 ' O ' ' CG1' ' A' 1146 ' ' VAL . . . -122.27 147.66 45.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1184 ' ' ILE . . . . . 0.61 ' O ' HG13 ' A' 1187 ' ' VAL . 0.2 OUTLIER -109.7 126.18 66.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 3.3 t70 56.72 34.85 25.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.76 16.24 77.98 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1187 ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' 1184 ' ' ILE . 0.3 OUTLIER -119.49 155.75 22.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.403 0.708 . . . . 0.0 109.288 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1188 ' ' LEU . . . . . 0.58 ' HB3' ' O ' ' A' 1045 ' ' LEU . 0.9 OUTLIER -60.16 147.96 37.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.252 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1189 ' ' CYS . . . . . 0.618 ' O ' ' N ' ' A' 1046 ' ' GLY . 9.1 t -146.39 -59.98 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.17 . . . . 0.0 108.269 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1190 ' ' GLY . . . . . 0.531 ' O ' HG11 ' A' 1182 ' ' VAL . . . 179.87 157.91 20.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1191 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.74 147.84 46.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1192 ' ' ILE . . . . . 0.404 HG22 HG23 ' A' 1039 ' ' VAL . 2.3 mt -109.56 134.87 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -115.19 125.83 53.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1194 ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.84 138.81 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1195 ' ' ALA . . . . . 0.689 ' O ' ' OXT' ' A' 1196 ' ' ASP . . . -135.61 102.72 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1196 ' ' ASP . . . . . 0.689 ' OXT' ' O ' ' A' 1195 ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.945 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1038 ' ' ARG . . . . . 0.507 ' HA ' HD21 ' A' 1071 ' ' LEU . 0.3 OUTLIER -105.02 165.37 11.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.1 . . . . 0.0 110.288 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1039 ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.28 128.02 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1040 ' ' MET . . . . . . . . . . . . . 10.8 tpt -95.7 -42.66 8.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.36 156.42 8.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 1.1 p -122.97 137.48 56.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.0 136.35 41.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.604 1.19 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 2.6 mt -81.5 124.68 29.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1045 ' ' LEU . . . . . 0.584 ' O ' ' CG ' ' A' 1188 ' ' LEU . 13.4 mt -136.89 23.32 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1046 ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -125.78 115.88 2.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.84 138.81 56.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.738 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1048 ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' 1053 ' ' LEU . 2.1 t -116.37 31.7 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -92.33 -15.35 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1050 ' ' THR . . . . . . . . . . . . . 2.1 m -128.14 -36.11 1.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.411 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1051 ' ' LEU . . . . . . . . . . . . . 26.8 mt -107.14 148.62 37.38 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 133.79 16.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.811 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1053 ' ' LEU . . . . . 0.439 ' HB2' ' CG1' ' A' 1048 ' ' VAL . 0.7 OUTLIER -76.11 -38.24 57.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -63.6 -47.66 80.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -41.54 87.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 1.189 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1056 ' ' VAL . . . . . 0.488 ' O ' HG11 ' A' 1059 ' ' VAL . 3.8 t -60.04 -46.51 94.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.382 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1057 ' ' LEU . . . . . 0.408 ' O ' HG12 ' A' 1060 ' ' VAL . 1.2 mp -65.67 -32.63 74.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1058 ' ' ALA . . . . . 0.412 ' O ' ' OG1' ' A' 1062 ' ' THR . . . -62.87 -48.25 79.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1059 ' ' VAL . . . . . 0.563 HG23 ' CD1' ' A' 1090 ' ' TYR . 8.8 p -70.34 -47.26 67.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1060 ' ' VAL . . . . . 0.42 ' O ' ' HB2' ' A' 1064 ' ' GLU . 0.3 OUTLIER -58.59 -34.06 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1061 ' ' GLY . . . . . 0.448 ' HA2' ' CG2' ' A' 1076 ' ' THR . . . -74.01 -36.44 51.84 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.444 1.09 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1062 ' ' THR . . . . . 0.485 ' HA ' HD12 ' A' 1088 ' ' LEU . 25.8 m -65.29 -35.74 81.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1063 ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' 1067 ' ' SER . . . -84.0 -51.0 7.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1064 ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' 1060 ' ' VAL . 10.9 mt-10 -55.06 -40.86 70.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1065 ' ' ALA . . . . . 0.493 ' O ' ' CG1' ' A' 1073 ' ' VAL . . . -74.96 -23.21 58.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.379 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1066 ' ' SER . . . . . 0.526 ' O ' ' CZ ' ' A' 1094 ' ' PHE . 40.1 t -109.03 24.02 13.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.942 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1067 ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' 1068 ' ' GLU . 3.5 m -56.63 -27.25 57.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1068 ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' 1067 ' ' SER . 0.2 OUTLIER 86.3 -0.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1069 ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -93.06 137.16 23.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.633 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1070 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 55.27 3.85 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.517 1.798 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1071 ' ' LEU . . . . . 0.507 HD21 ' HA ' ' A' 1038 ' ' ARG . 1.4 tt -176.46 -57.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -58.18 -36.75 83.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.429 1.081 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1073 ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' 1065 ' ' ALA . 58.0 t -63.85 -42.77 96.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -66.95 -34.18 77.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1075 ' ' VAL . . . . . . . . . . . . . 16.3 t -62.01 -48.31 89.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1076 ' ' THR . . . . . 0.448 ' CG2' ' HA2' ' A' 1061 ' ' GLY . 0.6 OUTLIER -66.36 -43.42 86.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 110.416 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -36.11 75.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 52.3 t80 -66.71 -52.28 46.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -34.07 76.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 108.315 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1080 ' ' LYS . . . . . 0.485 ' CD ' ' O ' ' A' 1085 ' ' THR . 0.1 OUTLIER -62.29 -47.22 85.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.33 -36.46 83.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -21.0 56.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.239 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 9.3 mt -83.52 -24.77 31.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 97.86 20.23 22.04 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1085 ' ' THR . . . . . 0.485 ' O ' ' CD ' ' A' 1080 ' ' LYS . 0.2 OUTLIER -136.78 122.14 19.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 0.799 . . . . 0.0 110.337 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.61 25.78 9.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 110.264 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 92.9 m -139.92 140.75 36.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.423 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1088 ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' 1062 ' ' THR . 0.1 OUTLIER -112.28 -162.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.215 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 173.46 36.02 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.449 1.093 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1090 ' ' TYR . . . . . 0.563 ' CD1' HG23 ' A' 1059 ' ' VAL . 0.2 OUTLIER -123.49 148.93 45.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.994 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1091 ' ' CYS . . . . . 0.647 ' O ' ' HA ' ' A' 1106 ' ' VAL . 2.2 t -95.62 113.64 25.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 108.285 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1092 ' ' THR . . . . . . . . . . . . . 4.7 p -93.2 155.56 17.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -153.63 77.15 1.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1094 ' ' PHE . . . . . 0.526 ' CZ ' ' O ' ' A' 1066 ' ' SER . 13.5 m-85 -73.05 151.8 41.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -162.29 128.88 3.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.157 . . . . 0.0 110.235 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -90.13 126.78 35.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.376 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.2 124.01 31.58 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.96 30.76 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 66.61 14.81 63.19 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1100 ' ' CYS . . . . . . . . . . . . . 11.9 t -135.08 -75.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 162.05 -127.61 1.75 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.462 1.101 . . . . 0.0 111.041 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 23.2 pt -129.35 142.49 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -151.16 140.72 8.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.463 1.102 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1104 ' ' CYS . . . . . 0.51 ' SG ' ' CG1' ' A' 1146 ' ' VAL . 18.9 p -136.63 161.13 36.76 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1105 ' ' LYS . . . . . . . . . . . . . 3.3 mptt -119.1 154.25 33.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1106 ' ' VAL . . . . . 0.647 ' HA ' ' O ' ' A' 1091 ' ' CYS . 0.3 OUTLIER -143.26 124.91 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1107 ' ' SER . . . . . 0.459 ' O ' ' HB2' ' A' 1108 ' ' ASN . 59.1 p -152.05 136.6 16.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1108 ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' 1107 ' ' SER . 2.4 t-20 170.47 -40.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1109 ' ' VAL . . . . . . . . . . . . . 6.7 p -51.61 -21.17 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -65.55 -46.17 80.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.862 0 N-CA-C 110.986 -0.429 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -85.69 115.86 23.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1143 ' ' THR . . . . . . . . . . . . . 1.9 m -121.47 135.17 55.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.461 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -104.97 142.04 35.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1145 ' ' SER . . . . . . . . . . . . . 12.4 t -107.74 130.95 54.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1146 ' ' VAL . . . . . 0.51 ' CG1' ' SG ' ' A' 1104 ' ' CYS . 3.8 t -109.55 138.46 36.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1147 ' ' LEU . . . . . 0.414 HD21 ' CZ2' ' A' 1153 ' ' TRP . 0.2 OUTLIER -128.07 139.1 52.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1148 ' ' ILE . . . . . 0.661 ' N ' ' CZ2' ' A' 1153 ' ' TRP . 0.2 OUTLIER -143.34 142.96 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1149 ' ' GLY . . . . . 0.58 ' CA ' ' CE3' ' A' 1153 ' ' TRP . . . 161.81 -171.27 37.71 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1150 ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' 1153 ' ' TRP . 10.0 m120 -75.61 153.86 37.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 0.768 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1151 ' ' ARG . . . . . 0.481 ' HB2' ' CG2' ' A' 1170 ' ' THR . 51.1 mtt180 -46.36 -34.96 4.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1152 ' ' GLU . . . . . 0.422 ' HB3' ' CA ' ' A' 1167 ' ' ASP . 3.0 pp20? -70.05 -34.56 73.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.356 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1153 ' ' TRP . . . . . 0.661 ' CZ2' ' N ' ' A' 1148 ' ' ILE . 0.0 OUTLIER -62.52 -52.78 62.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 108.037 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1154 ' ' LEU . . . . . 0.657 ' CD2' ' CH2' ' A' 1153 ' ' TRP . 0.2 OUTLIER -64.36 -41.49 96.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1155 ' ' ARG . . . . . 0.424 ' HA ' ' CB ' ' A' 1159 ' ' LEU . 2.2 mpt_? -57.48 -46.43 83.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -69.48 -25.85 64.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 20.3 t30 -65.37 -59.13 4.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.352 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . -175.42 58.21 0.11 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.133 . . . . 0.0 110.969 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.424 ' CB ' ' HA ' ' A' 1155 ' ' ARG . 0.1 OUTLIER -144.25 141.8 30.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.297 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1160 ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' 1159 ' ' LEU . 2.8 m -55.57 -164.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.384 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1161 ' ' ILE . . . . . . . . . . . . . 1.3 mp 63.5 152.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1162 ' ' SER . . . . . . . . . . . . . 40.3 t -76.28 142.25 41.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.411 1.07 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1163 ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.5 OUTLIER -67.58 -34.1 76.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 25.5 t0 -71.43 -40.07 70.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 32.3 t -64.02 -50.98 74.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1166 ' ' SER . . . . . 0.465 ' O ' ' CG2' ' A' 1170 ' ' THR . 3.5 t -69.37 -33.08 72.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.005 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1167 ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' 1163 ' ' SER . 0.1 OUTLIER -66.88 -42.71 85.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.25 96.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -48.76 75.74 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.149 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1170 ' ' THR . . . . . 0.481 ' CG2' ' HB2' ' A' 1151 ' ' ARG . 72.0 p -63.74 -50.69 68.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.365 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1171 ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.3 OUTLIER -57.34 -37.73 73.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 2.4 m170 -59.44 -47.65 84.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.603 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1173 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.32 -36.34 79.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 2.3 ttt -62.92 -10.74 14.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 2.5 mttp -87.12 10.09 17.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -155.4 -56.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1177 ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -127.21 169.72 13.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1178 ' ' THR . . . . . . . . . . . . . 2.0 m -103.34 128.01 50.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 110.45 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -131.58 128.57 39.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1180 ' ' ILE . . . . . 0.432 ' CD1' ' HB ' ' A' 1192 ' ' ILE . 8.6 pt -132.56 133.57 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1181 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -101.77 136.34 41.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1182 ' ' VAL . . . . . 0.468 ' CG1' ' CG2' ' A' 1148 ' ' ILE . 1.6 t -122.11 120.92 62.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1183 ' ' ALA . . . . . . . . . . . . . . . -118.61 149.55 41.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1184 ' ' ILE . . . . . 0.43 ' O ' HG23 ' A' 1187 ' ' VAL . 81.6 mt -109.29 112.82 42.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 32.0 t70 54.6 41.49 31.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 71.67 14.8 75.38 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1187 ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' 1184 ' ' ILE . 2.6 t -114.46 154.18 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 109.272 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1188 ' ' LEU . . . . . 0.584 ' CG ' ' O ' ' A' 1045 ' ' LEU . 0.6 OUTLIER -59.49 142.91 51.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1189 ' ' CYS . . . . . 0.574 ' O ' ' N ' ' A' 1046 ' ' GLY . 1.7 t -144.35 -56.06 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 108.326 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1190 ' ' GLY . . . . . 0.427 ' HA2' ' CB ' ' A' 1045 ' ' LEU . . . 162.72 157.44 9.05 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.454 1.096 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1191 ' ' MET . . . . . 0.447 ' HB3' ' CD1' ' A' 1045 ' ' LEU . 22.3 ptm -119.71 149.13 42.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 110.978 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1192 ' ' ILE . . . . . 0.432 ' HB ' ' CD1' ' A' 1180 ' ' ILE . 1.1 mp -108.1 130.38 60.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -115.39 123.16 47.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1194 ' ' ILE . . . . . 0.428 ' CG2' ' O ' ' A' 1038 ' ' ARG . 4.6 mt -110.62 133.0 57.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.456 1.098 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1195 ' ' ALA . . . . . 0.612 ' O ' ' OXT' ' A' 1196 ' ' ASP . . . -140.0 109.54 6.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1196 ' ' ASP . . . . . 0.612 ' OXT' ' O ' ' A' 1195 ' ' ALA . 20.0 t70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1037 ' ' PRO . . . . . 0.51 ' O ' ' CD2' ' A' 1071 ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 110.958 -0.439 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1038 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.38 164.1 15.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.08 . . . . 0.0 110.277 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1039 ' ' VAL . . . . . . . . . . . . . 5.2 p -66.29 134.9 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1040 ' ' MET . . . . . . . . . . . . . 1.4 tmt? -105.85 -42.48 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -167.99 156.6 9.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.347 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 2.6 t -117.04 137.66 50.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.06 140.84 36.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 1.9 tp -78.76 126.09 30.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1045 ' ' LEU . . . . . 0.539 ' O ' ' CB ' ' A' 1188 ' ' LEU . 0.6 OUTLIER -137.56 23.79 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1046 ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -141.79 122.52 2.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 4.0 t0 -105.25 173.79 6.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 0.769 . . . . 0.0 109.375 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1048 ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' 1051 ' ' LEU . 2.4 t -96.06 30.85 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -93.81 -15.34 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 109.281 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1050 ' ' THR . . . . . . . . . . . . . 27.5 m -131.5 -37.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1051 ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' 1048 ' ' VAL . 17.5 mt -155.42 155.08 29.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 134.56 17.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 5.9 tp -72.56 -25.82 61.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 5.6 mmt-85 -65.35 -50.56 65.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -69.69 -36.97 76.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1056 ' ' VAL . . . . . 0.457 ' CG1' ' SG ' ' A' 1189 ' ' CYS . 2.4 t -63.1 -43.81 99.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.9 -35.81 82.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.445 1.09 . . . . 0.0 109.242 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -62.04 -45.59 92.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 0.0 109.355 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1059 ' ' VAL . . . . . 0.546 ' CG2' ' CG1' ' A' 1106 ' ' VAL . 0.4 OUTLIER -69.53 -48.5 65.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1060 ' ' VAL . . . . . 0.517 ' O ' ' CG ' ' A' 1064 ' ' GLU . 0.4 OUTLIER -57.77 -35.6 51.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1061 ' ' GLY . . . . . . . . . . . . . . . -73.41 -33.51 58.6 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1062 ' ' THR . . . . . 0.624 ' OG1' ' CD1' ' A' 1090 ' ' TYR . 0.5 OUTLIER -64.68 -41.08 96.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.586 0.815 . . . . 0.0 110.419 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1063 ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' 1067 ' ' SER . . . -84.25 -38.7 20.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1064 ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' 1060 ' ' VAL . 5.5 mm-40 -54.74 -37.74 66.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1065 ' ' ALA . . . . . 0.515 ' N ' HG21 ' A' 1076 ' ' THR . . . -71.61 -23.9 61.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1066 ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' 1067 ' ' SER . 1.1 t -101.37 -1.68 32.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1067 ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' 1063 ' ' ALA . 9.0 p -35.06 118.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1068 ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' 1067 ' ' SER . 0.6 OUTLIER -35.37 -34.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1069 ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' 1067 ' ' SER . 0.9 OUTLIER -84.01 139.38 39.78 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.568 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1070 ' ' PRO . . . . . 0.451 ' HD2' ' CD2' ' A' 1069 ' ' HIS . 18.3 Cg_endo -75.03 -0.05 9.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.399 1.737 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1071 ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' 1037 ' ' PRO . 1.9 mp -90.31 -56.29 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.376 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -59.11 -28.69 64.33 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1073 ' ' VAL . . . . . 0.456 ' N ' ' OG ' ' A' 1067 ' ' SER . 11.0 t -63.07 -51.33 73.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 0.764 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.0 72.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1075 ' ' VAL . . . . . . . . . . . . . 48.9 t -59.05 -52.09 64.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1076 ' ' THR . . . . . 0.515 HG21 ' N ' ' A' 1065 ' ' ALA . 0.4 OUTLIER -66.15 -40.11 90.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.423 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 4.8 tttp -57.47 -41.95 81.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -66.57 -45.75 78.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -34.66 78.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 108.351 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 2.5 pttt -66.98 -38.72 86.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 109.248 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.25 -43.67 97.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -78.53 -20.53 50.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.172 . . . . 0.0 110.294 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 6.2 mt -83.17 -23.3 32.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.385 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 76.01 35.74 43.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1085 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.74 122.14 19.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 0.74 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -103.51 24.05 11.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 1.3 t -49.82 139.06 13.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.389 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1088 ' ' LEU . . . . . . . . . . . . . 6.7 tp -176.37 115.8 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 155.66 37.96 0.02 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1090 ' ' TYR . . . . . 0.624 ' CD1' ' OG1' ' A' 1062 ' ' THR . 11.6 m-85 -101.61 159.59 15.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1091 ' ' CYS . . . . . 0.633 ' O ' ' HA ' ' A' 1106 ' ' VAL . 0.5 OUTLIER -99.21 112.26 24.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 108.265 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1092 ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' 1105 ' ' LYS . 44.5 p -94.47 160.37 14.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 1.7 t70 -156.36 75.31 0.86 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1094 ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -72.64 143.83 48.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -159.17 132.66 7.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.34 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -89.67 124.15 34.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.08 124.15 31.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 143.72 29.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.509 1.794 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 74.98 7.23 81.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1100 ' ' CYS . . . . . 0.534 ' HB3' ' CZ2' ' A' 1153 ' ' TRP . 87.6 m -132.24 -75.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 157.28 -123.91 1.35 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.556 1.16 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1102 ' ' ILE . . . . . 0.44 ' CG1' ' O ' ' A' 1148 ' ' ILE . 15.7 pt -115.08 136.88 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -138.74 120.16 1.89 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.556 1.16 . . . . 0.0 110.973 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1104 ' ' CYS . . . . . . . . . . . . . 7.5 p -127.9 140.87 51.75 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1105 ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' 1092 ' ' THR . 2.0 mttt -106.34 152.79 23.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1106 ' ' VAL . . . . . 0.633 ' HA ' ' O ' ' A' 1091 ' ' CYS . 10.6 t -144.71 136.58 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1107 ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' 1108 ' ' ASN . 4.1 p -149.27 151.24 33.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.941 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1108 ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' 1107 ' ' SER . 4.8 t30 153.78 -20.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1109 ' ' VAL . . . . . . . . . . . . . 12.2 m -44.47 -31.49 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -53.93 -46.93 71.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -91.55 142.33 27.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1143 ' ' THR . . . . . . . . . . . . . 53.1 m -117.23 134.51 54.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.403 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -108.57 141.54 40.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1145 ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' 1185 ' ' ASP . 54.1 p -102.01 130.45 48.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.956 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1146 ' ' VAL . . . . . 0.45 HG21 HG13 ' A' 1184 ' ' ILE . 96.4 t -117.92 138.62 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.57 139.39 53.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1148 ' ' ILE . . . . . 0.44 ' O ' ' CG1' ' A' 1102 ' ' ILE . 0.6 OUTLIER -138.87 157.3 29.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 162.11 -166.37 36.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.145 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 12.2 m120 -67.6 146.33 53.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 0.808 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1151 ' ' ARG . . . . . 0.51 HH21 HH12 ' A' 1155 ' ' ARG . 48.9 mtp180 -51.43 -26.8 8.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1152 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.23 -43.04 78.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1153 ' ' TRP . . . . . 0.587 ' CE3' ' O ' ' A' 1153 ' ' TRP . 0.9 OUTLIER -58.79 -52.27 66.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 107.995 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1154 ' ' LEU . . . . . 0.469 ' CB ' HD23 ' A' 1181 ' ' LEU . 3.2 mm? -61.27 -38.27 86.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.407 1.067 . . . . 0.0 109.36 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1155 ' ' ARG . . . . . 0.51 HH12 HH21 ' A' 1151 ' ' ARG . 2.8 mpt_? -57.01 -49.08 76.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.227 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -72.52 -22.02 61.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 62.4 t30 -62.43 -59.23 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . -174.38 56.56 0.13 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.425 ' CB ' ' HA ' ' A' 1155 ' ' ARG . 0.0 OUTLIER -132.79 -160.15 1.02 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 0.763 . . . . 0.0 109.254 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1160 ' ' THR . . . . . . . . . . . . . 2.8 m -110.56 -165.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.417 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1161 ' ' ILE . . . . . . . . . . . . . 19.6 mm 65.04 153.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1162 ' ' SER . . . . . . . . . . . . . 39.9 t -72.47 144.71 47.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 44.2 m -65.54 -36.01 82.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 1.4 t0 -70.5 -39.38 74.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 41.5 t -68.18 -48.63 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1166 ' ' SER . . . . . 0.508 ' O ' ' CG2' ' A' 1170 ' ' THR . 7.1 t -67.33 -34.32 77.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.986 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1167 ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.8 -45.42 89.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -70.19 -34.44 72.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 109.238 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 6.9 mtm -65.82 -48.52 71.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 111.001 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1170 ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' 1166 ' ' SER . 65.0 p -64.52 -52.32 58.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1171 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -44.43 89.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -54.09 -47.77 71.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.628 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1173 ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' 1177 ' ' GLN . 3.6 mm-40 -57.46 -37.21 72.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 2.7 ttp -61.84 -11.1 11.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.48 10.46 17.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -159.45 -56.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1177 ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' 1173 ' ' GLU . 19.2 mp0 -125.8 174.87 8.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 110.219 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1178 ' ' THR . . . . . 0.426 ' HB ' ' CG1' ' A' 1194 ' ' ILE . 1.3 m -124.22 119.89 30.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -132.75 128.35 36.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.597 1.185 . . . . 0.0 109.261 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1180 ' ' ILE . . . . . 0.411 HG13 HG23 ' A' 1192 ' ' ILE . 20.0 pt -130.67 147.37 33.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1181 ' ' LEU . . . . . 0.469 HD23 ' CB ' ' A' 1154 ' ' LEU . 0.5 OUTLIER -101.41 142.08 33.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1182 ' ' VAL . . . . . 0.416 HG23 HG22 ' A' 1148 ' ' ILE . 3.9 t -120.58 121.09 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1183 ' ' ALA . . . . . . . . . . . . . . . -116.85 149.98 39.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1184 ' ' ILE . . . . . 0.45 HG13 HG21 ' A' 1146 ' ' VAL . 1.2 mp -107.63 111.81 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1185 ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' 1145 ' ' SER . 0.7 OUTLIER 52.4 43.99 30.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 71.09 14.93 74.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1187 ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' 1184 ' ' ILE . 0.4 OUTLIER -112.39 153.91 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.236 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1188 ' ' LEU . . . . . 0.539 ' CB ' ' O ' ' A' 1045 ' ' LEU . 0.6 OUTLIER -61.8 144.1 55.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1189 ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' 1046 ' ' GLY . 1.5 t -144.88 -66.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 108.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1190 ' ' GLY . . . . . 0.506 ' HA2' ' CB ' ' A' 1045 ' ' LEU . . . 170.95 157.88 13.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1191 ' ' MET . . . . . . . . . . . . . 1.2 ppp? -118.58 148.74 42.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1192 ' ' ILE . . . . . 0.411 HG23 HG13 ' A' 1180 ' ' ILE . 3.3 tt -108.34 134.21 50.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -121.12 117.69 27.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1194 ' ' ILE . . . . . 0.426 ' CG1' ' HB ' ' A' 1178 ' ' THR . 3.9 pt -109.82 130.97 62.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1195 ' ' ALA . . . . . 0.571 ' O ' ' OXT' ' A' 1196 ' ' ASP . . . -140.06 110.97 6.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1196 ' ' ASP . . . . . 0.571 ' OXT' ' O ' ' A' 1195 ' ' ALA . 19.3 t70 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1037 ' ' PRO . . . . . 0.526 ' HB2' HD12 ' A' 1194 ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1038 ' ' ARG . . . . . 0.679 ' HA ' HD11 ' A' 1071 ' ' LEU . 4.2 mpt_? -135.95 163.13 30.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1039 ' ' VAL . . . . . . . . . . . . . 9.8 p -68.67 137.41 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1040 ' ' MET . . . . . 0.523 ' O ' ' CG ' ' A' 1041 ' ' ARG . 6.9 tpt -100.84 -42.61 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1041 ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' 1040 ' ' MET . 32.5 mtt180 -164.96 157.36 15.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 0.0 110.22 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 2.4 t -129.84 137.13 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.78 138.9 50.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 3.1 tp -79.43 136.69 37.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1045 ' ' LEU . . . . . 0.579 ' O ' ' CG ' ' A' 1188 ' ' LEU . 0.7 OUTLIER -145.17 23.95 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1046 ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -122.85 114.89 2.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.586 1.179 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.97 141.86 48.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1048 ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' 1053 ' ' LEU . 4.9 t -131.04 30.08 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -92.63 -15.56 26.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.376 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1050 ' ' THR . . . . . . . . . . . . . 6.2 m -131.97 -36.46 1.18 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1051 ' ' LEU . . . . . . . . . . . . . 6.1 mp -99.92 146.63 32.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 134.43 17.77 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1053 ' ' LEU . . . . . 0.457 ' HB2' ' CG1' ' A' 1048 ' ' VAL . 7.5 tp -77.18 -35.11 56.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -65.21 -45.3 85.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 110.265 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -50.53 56.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1056 ' ' VAL . . . . . . . . . . . . . 7.9 t -57.8 -41.51 79.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 31.8 tp -64.81 -35.23 80.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.7 92.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 43.1 t -68.69 -47.6 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.376 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1060 ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' A' 1064 ' ' GLU . 0.4 OUTLIER -56.79 -38.79 60.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1061 ' ' GLY . . . . . 0.46 ' HA2' ' CG2' ' A' 1076 ' ' THR . . . -73.82 -33.59 57.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1062 ' ' THR . . . . . 0.578 HG21 ' CG ' ' A' 1090 ' ' TYR . 0.5 OUTLIER -62.75 -40.37 97.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 110.439 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1063 ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' 1067 ' ' SER . . . -84.72 -44.66 13.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1064 ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' 1060 ' ' VAL . 3.0 mm-40 -55.32 -45.49 76.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1065 ' ' ALA . . . . . 0.498 ' O ' ' CG2' ' A' 1073 ' ' VAL . . . -76.48 -22.45 54.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1066 ' ' SER . . . . . . . . . . . . . 8.5 t -108.77 27.4 9.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1067 ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' 1063 ' ' ALA . 0.4 OUTLIER -78.51 -30.15 46.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.026 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1068 ' ' GLU . . . . . . . . . . . . . 3.4 tt0 77.38 21.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.088 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1069 ' ' HIS . . . . . 0.444 ' CG ' ' HD2' ' A' 1070 ' ' PRO . 13.1 t-80 -90.68 142.55 27.96 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.598 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1070 ' ' PRO . . . . . 0.483 ' O ' ' CB ' ' A' 1071 ' ' LEU . 18.3 Cg_endo -75.02 56.13 4.17 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.455 1.766 . . . . 0.0 110.961 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1071 ' ' LEU . . . . . 0.679 HD11 ' HA ' ' A' 1038 ' ' ARG . 0.1 OUTLIER 165.41 -52.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -58.34 -35.73 80.2 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1073 ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' 1065 ' ' ALA . 0.3 OUTLIER -64.68 -47.97 86.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1074 ' ' ALA . . . . . 0.481 ' N ' ' CG1' ' A' 1073 ' ' VAL . . . -67.01 -33.81 76.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1075 ' ' VAL . . . . . . . . . . . . . 2.4 t -59.32 -49.32 83.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1076 ' ' THR . . . . . 0.46 ' CG2' ' HA2' ' A' 1061 ' ' GLY . 0.2 OUTLIER -69.01 -42.64 76.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.432 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -57.15 -42.0 80.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -46.13 76.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -35.65 78.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 108.342 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 8.9 mttp -66.7 -39.91 88.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.403 1.065 . . . . 0.0 109.333 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.44 -42.55 98.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -78.09 -21.63 50.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.221 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 5.0 mt -83.39 -22.43 32.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 77.84 30.94 50.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1085 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.98 122.12 19.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 110.439 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -102.84 23.37 12.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 60.7 m -50.88 136.76 22.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1088 ' ' LEU . . . . . . . . . . . . . 3.7 tp -177.76 113.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 169.18 37.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1090 ' ' TYR . . . . . 0.578 ' CG ' HG21 ' A' 1062 ' ' THR . 0.2 OUTLIER -101.53 160.33 14.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 0.781 . . . . 0.0 110.984 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1091 ' ' CYS . . . . . 0.67 ' O ' ' HA ' ' A' 1106 ' ' VAL . 8.6 t -96.46 113.15 24.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 108.396 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1092 ' ' THR . . . . . . . . . . . . . 45.1 p -93.93 152.16 19.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.606 1.191 . . . . 0.0 110.374 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.92 75.43 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1094 ' ' PHE . . . . . . . . . . . . . 18.0 p90 -73.64 147.08 44.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -159.58 138.3 10.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 110.301 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -109.26 129.41 55.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.355 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 44.5 t -114.9 124.47 30.34 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 142.71 28.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.798 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 76.06 11.73 84.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1100 ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -138.37 -74.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 165.97 -132.61 2.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1102 ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' 1148 ' ' ILE . 0.4 OUTLIER -134.78 163.13 37.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -170.58 155.27 24.58 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.433 1.083 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1104 ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' 1105 ' ' LYS . 7.0 t -142.74 153.12 43.02 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1105 ' ' LYS . . . . . 0.437 ' N ' ' SG ' ' A' 1104 ' ' CYS . 0.0 OUTLIER -116.15 154.74 29.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1106 ' ' VAL . . . . . 0.67 ' HA ' ' O ' ' A' 1091 ' ' CYS . 0.0 OUTLIER -143.04 126.79 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1107 ' ' SER . . . . . 0.494 ' CB ' ' OG1' ' A' 1143 ' ' THR . 6.3 p -150.67 136.5 18.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.17 . . . . 0.0 110.012 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1108 ' ' ASN . . . . . 0.544 HD21 ' N ' ' A' 1091 ' ' CYS . 0.6 OUTLIER 165.6 -27.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.062 . . . . 0.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1109 ' ' VAL . . . . . 0.504 ' CG1' ' OH ' ' A' 1090 ' ' TYR . 3.4 p -44.23 -29.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.43 -46.35 76.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1111 ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' 1108 ' ' ASN . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 111.067 -0.397 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -71.75 110.41 6.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1143 ' ' THR . . . . . 0.494 ' OG1' ' CB ' ' A' 1107 ' ' SER . 1.9 m -107.28 134.23 50.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.441 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -106.0 140.62 38.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1145 ' ' SER . . . . . . . . . . . . . 47.2 p -110.47 128.98 55.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1146 ' ' VAL . . . . . . . . . . . . . 46.0 t -121.27 140.7 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1147 ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' A' 1147 ' ' LEU . 0.3 OUTLIER -127.82 148.26 50.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1148 ' ' ILE . . . . . 0.619 ' HA ' ' CH2' ' A' 1153 ' ' TRP . 0.3 OUTLIER -141.32 156.79 21.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.59 1.181 . . . . 0.0 109.249 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1149 ' ' GLY . . . . . 0.456 ' C ' ' CE3' ' A' 1153 ' ' TRP . . . 160.42 -174.29 37.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1150 ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' 1153 ' ' TRP . 14.9 t-20 -69.65 152.8 44.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1151 ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -45.37 -34.88 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1152 ' ' GLU . . . . . 0.436 ' CB ' ' HB2' ' A' 1167 ' ' ASP . 1.0 OUTLIER -69.67 -35.08 74.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1153 ' ' TRP . . . . . 0.72 ' CH2' HD23 ' A' 1154 ' ' LEU . 0.0 OUTLIER -61.11 -53.38 57.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.0 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1154 ' ' LEU . . . . . 0.72 HD23 ' CH2' ' A' 1153 ' ' TRP . 0.2 OUTLIER -64.75 -41.57 95.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1155 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.27 -47.9 74.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -25.06 62.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -62.32 -49.72 74.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.353 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 164.87 57.66 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.442 1.089 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1159 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.43 -162.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 0.719 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1160 ' ' THR . . . . . . . . . . . . . 2.6 m -109.29 -178.09 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1161 ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' 1162 ' ' SER . 15.1 mm 64.41 162.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1162 ' ' SER . . . . . 0.457 ' N ' ' CG2' ' A' 1161 ' ' ILE . 38.0 t -75.72 141.68 42.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1163 ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.6 OUTLIER -68.55 -34.25 75.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -38.93 71.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1165 ' ' VAL . . . . . 0.408 ' CG2' ' HB3' ' A' 1162 ' ' SER . 30.8 t -62.55 -51.98 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1166 ' ' SER . . . . . . . . . . . . . 3.5 t -70.87 -33.75 70.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1167 ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' 1163 ' ' SER . 8.0 t0 -63.65 -42.57 98.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -66.98 -42.62 84.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 109.228 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 1.1 tpt -59.93 -51.28 70.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1170 ' ' THR . . . . . 0.456 ' CG2' ' ND2' ' A' 1150 ' ' ASN . 17.3 m -67.0 -40.25 87.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.468 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1171 ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.5 OUTLIER -57.89 -46.78 84.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.249 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.35 -44.23 92.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1173 ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.17 -36.4 70.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.387 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 8.0 ttt -63.48 -10.46 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 1.7 tttt -84.71 8.3 17.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -155.23 -55.01 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.407 1.067 . . . . 0.0 111.055 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1177 ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -126.18 159.24 33.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 0.76 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1178 ' ' THR . . . . . 0.52 ' CG2' ' CG2' ' A' 1194 ' ' ILE . 1.0 OUTLIER -94.82 120.36 34.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -112.61 127.87 56.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1180 ' ' ILE . . . . . . . . . . . . . 4.5 pt -138.44 130.31 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1181 ' ' LEU . . . . . . . . . . . . . 2.7 tt -101.24 140.7 35.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1182 ' ' VAL . . . . . 0.445 ' CG1' HG22 ' A' 1148 ' ' ILE . 3.1 t -119.09 119.7 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1183 ' ' ALA . . . . . . . . . . . . . . . -118.01 149.61 40.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1184 ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' 1187 ' ' VAL . 0.5 OUTLIER -109.89 115.59 50.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 15.8 t0 56.84 39.49 29.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 71.68 15.03 75.49 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1187 ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' 1184 ' ' ILE . 2.1 t -116.68 154.63 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1188 ' ' LEU . . . . . 0.579 ' CG ' ' O ' ' A' 1045 ' ' LEU . 0.7 OUTLIER -59.83 144.84 47.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1189 ' ' CYS . . . . . 0.581 ' O ' ' N ' ' A' 1046 ' ' GLY . 3.1 t -147.25 -57.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 108.277 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1190 ' ' GLY . . . . . 0.415 ' HA2' ' HB2' ' A' 1045 ' ' LEU . . . 179.47 157.01 19.02 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1191 ' ' MET . . . . . . . . . . . . . 33.9 ttp -121.05 143.78 48.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1192 ' ' ILE . . . . . . . . . . . . . 2.0 mm -109.21 135.25 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -125.37 122.35 36.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1194 ' ' ILE . . . . . 0.526 HD12 ' HB2' ' A' 1037 ' ' PRO . 0.5 OUTLIER -117.78 141.2 37.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -125.37 104.11 8.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 9.2 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.244 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.068 -0.397 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1038 ' ' ARG . . . . . 0.516 ' HA ' HD11 ' A' 1071 ' ' LEU . 0.0 OUTLIER -136.25 163.32 30.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1039 ' ' VAL . . . . . . . . . . . . . 4.4 p -68.18 136.25 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1040 ' ' MET . . . . . 0.421 ' HG3' ' CB ' ' A' 1195 ' ' ALA . 0.0 OUTLIER -93.51 -44.21 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.49 157.05 8.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.239 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.17 138.65 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.77 150.5 39.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.586 ' O ' HD22 ' A' 1045 ' ' LEU . 3.1 tp -78.19 135.29 37.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1045 ' ' LEU . . . . . 0.586 HD22 ' O ' ' A' 1044 ' ' LEU . 1.5 mm? -143.12 24.47 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1046 ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -132.04 118.64 2.33 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.555 1.159 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.04 143.42 30.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.612 0.831 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1048 ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' 1048 ' ' VAL . 81.2 t -91.1 26.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -94.01 -5.3 47.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 0.0 109.256 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1050 ' ' THR . . . . . . . . . . . . . 3.3 m -116.56 -35.08 4.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.374 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1051 ' ' LEU . . . . . 0.555 HD21 ' HD2' ' A' 1052 ' ' PRO . 0.1 OUTLIER -161.53 172.46 5.66 Favored Pre-proline 0 C--N 1.327 -0.408 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1052 ' ' PRO . . . . . 0.555 ' HD2' HD21 ' A' 1051 ' ' LEU . 18.3 Cg_endo -75.0 133.21 16.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.779 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 4.1 tp -71.06 -26.87 63.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -63.34 -47.69 81.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1055 ' ' LYS . . . . . 0.452 ' CG ' ' HG2' ' A' 1052 ' ' PRO . 3.4 mmtt -71.28 -36.92 71.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1056 ' ' VAL . . . . . . . . . . . . . 3.3 t -61.93 -46.2 97.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.246 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.05 -35.76 82.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.21 87.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1059 ' ' VAL . . . . . 0.444 ' O ' HG22 ' A' 1062 ' ' THR . 0.4 OUTLIER -69.89 -41.33 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1060 ' ' VAL . . . . . 0.446 ' O ' ' HB2' ' A' 1064 ' ' GLU . 3.4 t -59.84 -39.35 79.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.225 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1061 ' ' GLY . . . . . 0.472 ' HA2' ' CG2' ' A' 1076 ' ' THR . . . -74.85 -35.8 49.36 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1062 ' ' THR . . . . . 0.583 HG23 ' CG ' ' A' 1090 ' ' TYR . 0.6 OUTLIER -62.73 -39.24 93.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.413 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1063 ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' 1067 ' ' SER . . . -84.35 -46.3 11.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.369 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1064 ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' 1060 ' ' VAL . 51.9 mm-40 -54.91 -44.74 74.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1065 ' ' ALA . . . . . 0.607 ' O ' HG21 ' A' 1073 ' ' VAL . . . -75.88 -22.31 56.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1066 ' ' SER . . . . . . . . . . . . . 21.0 t -114.23 33.19 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.922 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1067 ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' 1063 ' ' ALA . 38.0 m -82.9 -104.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1068 ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' 1067 ' ' SER . 0.1 OUTLIER 164.51 44.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.239 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1069 ' ' HIS . . . . . . . . . . . . . 16.5 t60 -123.89 134.49 25.4 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.552 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1070 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 55.81 4.1 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1071 ' ' LEU . . . . . 0.516 HD11 ' HA ' ' A' 1038 ' ' ARG . 0.1 OUTLIER 172.08 -49.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1072 ' ' GLY . . . . . 0.411 ' N ' ' HG ' ' A' 1071 ' ' LEU . . . -63.15 -47.6 86.88 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.542 1.151 . . . . 0.0 111.058 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1073 ' ' VAL . . . . . 0.607 HG21 ' O ' ' A' 1065 ' ' ALA . 0.4 OUTLIER -60.95 -42.36 92.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -67.37 -35.53 79.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1075 ' ' VAL . . . . . . . . . . . . . 2.4 t -61.64 -43.01 96.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1076 ' ' THR . . . . . 0.472 ' CG2' ' HA2' ' A' 1061 ' ' GLY . 0.2 OUTLIER -67.17 -45.28 77.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.392 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -47.24 80.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -41.1 97.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.95 -36.85 85.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 108.285 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1080 ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' 1085 ' ' THR . 0.0 OUTLIER -64.09 -42.9 96.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -62.93 -39.14 93.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 110.364 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.56 -21.49 48.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.152 . . . . 0.0 110.334 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 4.1 mt -83.48 -23.13 32.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 86.2 25.76 35.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.048 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1085 ' ' THR . . . . . 0.515 ' O ' ' CG ' ' A' 1080 ' ' LYS . 0.2 OUTLIER -136.82 122.42 19.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.544 0.79 . . . . 0.0 110.413 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.23 23.92 13.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 86.9 m -65.95 149.94 49.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.604 1.19 . . . . 0.0 110.388 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1088 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 179.58 118.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 175.28 36.69 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1090 ' ' TYR . . . . . 0.583 ' CG ' HG23 ' A' 1062 ' ' THR . 1.5 m-85 -98.26 160.4 14.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1091 ' ' CYS . . . . . 0.589 ' O ' ' HA ' ' A' 1106 ' ' VAL . 1.6 t -97.7 113.26 24.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.097 . . . . 0.0 108.307 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1092 ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' 1105 ' ' LYS . 16.9 p -94.72 162.03 13.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.422 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.21 76.36 0.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 1.176 . . . . 0.0 109.323 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1094 ' ' PHE . . . . . 0.471 ' HA ' ' CB ' ' A' 1104 ' ' CYS . 6.5 p90 -74.39 168.12 20.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 179.28 125.47 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -95.45 123.2 38.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 44.5 t -109.83 123.86 35.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 135.65 19.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.515 1.797 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 77.54 16.17 80.57 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.41 1.068 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1100 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -137.82 -71.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 158.77 -139.13 6.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 47.6 pt -122.15 138.66 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -141.89 153.15 24.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1104 ' ' CYS . . . . . 0.471 ' CB ' ' HA ' ' A' 1094 ' ' PHE . 31.0 p -156.72 156.1 32.79 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1105 ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' 1092 ' ' THR . 16.6 mttt -123.47 151.93 42.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1106 ' ' VAL . . . . . 0.589 ' HA ' ' O ' ' A' 1091 ' ' CYS . 15.0 p -145.59 127.49 8.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1107 ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' 1108 ' ' ASN . 37.2 t -151.06 136.13 17.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1108 ' ' ASN . . . . . 0.52 ' CB ' ' O ' ' A' 1107 ' ' SER . 0.9 OUTLIER 154.75 41.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1109 ' ' VAL . . . . . 0.481 ' CG1' ' OH ' ' A' 1090 ' ' TYR . 0.6 OUTLIER -83.91 -30.98 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -44.44 95.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.235 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.435 1.084 . . . . 0.0 111.022 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -84.13 127.79 34.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1143 ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' 1107 ' ' SER . 1.2 m -108.39 134.52 51.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -110.04 142.11 41.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1145 ' ' SER . . . . . . . . . . . . . 95.0 p -115.95 129.02 56.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.028 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1146 ' ' VAL . . . . . . . . . . . . . 11.8 t -117.96 120.64 65.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.88 150.8 35.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1148 ' ' ILE . . . . . 0.575 ' HA ' ' CH2' ' A' 1153 ' ' TRP . 0.1 OUTLIER -141.69 154.79 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1149 ' ' GLY . . . . . 0.5 ' CA ' ' CE3' ' A' 1153 ' ' TRP . . . 164.68 -174.86 40.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1150 ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' 1153 ' ' TRP . 5.7 m120 -73.64 159.6 32.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1151 ' ' ARG . . . . . 0.422 HH21 ' HG3' ' A' 1173 ' ' GLU . 49.1 mtt-85 -47.07 -35.21 6.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.235 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1152 ' ' GLU . . . . . 0.463 ' OE2' ' CZ ' ' A' 1156 ' ' ARG . 1.8 tt0 -70.29 -36.08 74.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1153 ' ' TRP . . . . . 0.726 ' CH2' HD12 ' A' 1154 ' ' LEU . 0.0 OUTLIER -58.75 -54.41 47.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.015 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1154 ' ' LEU . . . . . 0.726 HD12 ' CH2' ' A' 1153 ' ' TRP . 1.1 tp -60.07 -39.19 85.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1155 ' ' ARG . . . . . 0.47 ' NE ' ' O ' ' A' 1161 ' ' ILE . 16.6 tpt85 -56.8 -50.61 71.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.592 1.183 . . . . 0.0 110.357 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1156 ' ' ARG . . . . . 0.463 ' CZ ' ' OE2' ' A' 1152 ' ' GLU . 5.6 mtm-85 -66.95 -25.51 66.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 6.6 t30 -68.83 -39.2 80.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 147.53 61.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.4 ' CB ' ' HA ' ' A' 1155 ' ' ARG . 0.2 OUTLIER -120.27 -165.2 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 0.726 . . . . 0.0 109.28 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1160 ' ' THR . . . . . 0.425 ' O ' ' HD3' ' A' 1155 ' ' ARG . 2.5 m -114.12 -167.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.347 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1161 ' ' ILE . . . . . 0.47 ' O ' ' NE ' ' A' 1155 ' ' ARG . 1.0 OUTLIER 67.51 159.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.346 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1162 ' ' SER . . . . . 0.426 ' N ' ' CG2' ' A' 1161 ' ' ILE . 35.2 t -69.08 144.31 53.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.941 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1163 ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.2 OUTLIER -66.24 -35.79 81.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.77 -39.77 69.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1165 ' ' VAL . . . . . 0.417 ' CG2' ' HB3' ' A' 1162 ' ' SER . 54.5 t -65.72 -49.35 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1166 ' ' SER . . . . . . . . . . . . . 4.8 t -69.03 -37.02 78.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.179 . . . . 0.0 109.945 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1167 ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' 1163 ' ' SER . 11.8 t0 -66.04 -39.58 90.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -69.99 -40.5 75.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -49.3 73.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1170 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -43.95 97.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1171 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.64 -40.84 96.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.609 1.193 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.64 -48.11 72.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.619 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1173 ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' 1177 ' ' GLN . 19.5 mm-40 -57.39 -46.62 83.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 1.3 ttm -64.09 -9.33 15.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.84 10.17 16.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -158.47 -57.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1177 ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' 1173 ' ' GLU . 57.5 mt-30 -125.94 174.73 8.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 110.25 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1178 ' ' THR . . . . . . . . . . . . . 3.6 m -96.27 119.3 34.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.362 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -114.26 127.6 55.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1180 ' ' ILE . . . . . . . . . . . . . 10.2 pt -144.12 130.69 16.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1181 ' ' LEU . . . . . 0.407 ' O ' ' CZ3' ' A' 1153 ' ' TRP . 0.0 OUTLIER -108.26 143.66 36.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1182 ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' 1190 ' ' GLY . 1.5 m -119.65 123.12 70.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1183 ' ' ALA . . . . . 0.428 ' HB3' HD12 ' A' 1154 ' ' LEU . . . -116.65 150.33 38.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1184 ' ' ILE . . . . . 0.486 ' O ' HG23 ' A' 1187 ' ' VAL . 1.4 tt -109.12 113.69 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 27.6 t0 56.52 39.8 29.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 0.0 109.239 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.71 15.61 77.88 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1187 ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' 1184 ' ' ILE . 2.1 t -116.55 154.82 18.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1188 ' ' LEU . . . . . 0.569 ' CB ' ' O ' ' A' 1045 ' ' LEU . 0.4 OUTLIER -59.38 143.69 48.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1189 ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' 1046 ' ' GLY . 1.7 t -144.54 -67.31 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 108.369 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1190 ' ' GLY . . . . . 0.449 ' O ' HG21 ' A' 1182 ' ' VAL . . . -169.57 160.6 33.82 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.426 1.079 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1191 ' ' MET . . . . . . . . . . . . . 5.7 ptm -124.39 140.87 52.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 0.742 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1192 ' ' ILE . . . . . . . . . . . . . 37.1 mt -109.42 134.98 49.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -122.67 118.98 29.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1194 ' ' ILE . . . . . . . . . . . . . 3.0 mt -106.53 140.25 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1195 ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' 1196 ' ' ASP . . . -141.03 103.21 4.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.606 1.191 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1196 ' ' ASP . . . . . 0.96 ' OXT' ' OD1' ' A' 1196 ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.862 0 N-CA-C 110.939 -0.447 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1038 ' ' ARG . . . . . 0.418 ' HA ' ' HE2' ' A' 1069 ' ' HIS . 0.5 OUTLIER -135.33 162.94 31.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1039 ' ' VAL . . . . . 0.49 ' HA ' HD12 ' A' 1194 ' ' ILE . 1.0 OUTLIER -69.73 131.63 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.234 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1040 ' ' MET . . . . . . . . . . . . . 1.1 ttt -100.75 -43.55 6.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 2.0 ptt85 -169.37 156.72 7.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.327 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 1.7 p -120.06 139.26 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.51 150.62 40.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 18.1 tp -76.51 140.06 41.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1045 ' ' LEU . . . . . 0.552 ' O ' ' CB ' ' A' 1188 ' ' LEU . 1.5 tp -144.45 23.32 1.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1046 ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -85.21 -145.97 8.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.148 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 8.1 t0 -179.54 174.38 0.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 0.787 . . . . 0.0 109.263 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1048 ' ' VAL . . . . . . . . . . . . . 3.0 t -87.71 45.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1049 ' ' ALA . . . . . 0.532 ' O ' ' CB ' ' A' 1050 ' ' THR . . . -79.4 6.35 10.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1050 ' ' THR . . . . . 0.532 ' CB ' ' O ' ' A' 1049 ' ' ALA . 2.5 m 84.53 6.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.455 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1051 ' ' LEU . . . . . . . . . . . . . 2.5 pp -80.9 138.53 49.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1052 ' ' PRO . . . . . 0.421 ' HG2' ' CB ' ' A' 1055 ' ' LYS . 18.2 Cg_endo -74.98 132.16 15.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.06 -40.37 62.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 109.36 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -62.27 -40.91 97.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1055 ' ' LYS . . . . . 0.421 ' CB ' ' HG2' ' A' 1052 ' ' PRO . 0.0 OUTLIER -66.62 -50.14 63.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1056 ' ' VAL . . . . . 0.417 ' O ' HG22 ' A' 1060 ' ' VAL . 0.4 OUTLIER -58.24 -40.16 76.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.08 -35.27 80.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -71.42 -33.7 69.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1059 ' ' VAL . . . . . 0.671 ' O ' HG23 ' A' 1062 ' ' THR . 15.0 t -70.79 -50.8 41.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1060 ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' 1056 ' ' VAL . 40.5 t -69.91 -34.27 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1061 ' ' GLY . . . . . 0.416 ' O ' HG22 ' A' 1076 ' ' THR . . . -69.0 -48.74 45.82 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1062 ' ' THR . . . . . 0.671 HG23 ' O ' ' A' 1059 ' ' VAL . 15.0 t -60.47 -36.47 78.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 0.796 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1063 ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' 1067 ' ' SER . . . -73.04 -52.88 12.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.369 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1064 ' ' GLU . . . . . 0.449 ' CB ' HG22 ' A' 1076 ' ' THR . 7.1 mt-10 -54.34 -45.92 72.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1065 ' ' ALA . . . . . 0.48 ' HB3' ' HB ' ' A' 1076 ' ' THR . . . -62.61 -22.89 66.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.41 1.069 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1066 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.95 34.29 5.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.936 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1067 ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' 1063 ' ' ALA . 41.9 t -89.24 -147.98 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 110.028 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1068 ' ' GLU . . . . . 0.417 ' N ' ' OG ' ' A' 1067 ' ' SER . 0.7 OUTLIER -120.43 -4.07 9.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1069 ' ' HIS . . . . . 0.418 ' HE2' ' HA ' ' A' 1038 ' ' ARG . 3.1 t60 -82.43 133.88 49.31 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.58 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1070 ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -27.0 10.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1071 ' ' LEU . . . . . 0.453 ' CD1' HG21 ' A' 1039 ' ' VAL . 1.0 OUTLIER -98.71 -27.61 13.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -65.99 -49.86 55.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1073 ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' 1064 ' ' GLU . 33.8 t -62.7 -37.13 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.71 79.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1075 ' ' VAL . . . . . . . . . . . . . 3.2 t -62.49 -42.02 94.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1076 ' ' THR . . . . . 0.48 ' HB ' ' HB3' ' A' 1065 ' ' ALA . 0.2 OUTLIER -70.06 -44.66 68.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.468 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -48.1 81.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.232 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 84.2 t80 -61.93 -52.07 65.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1079 ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' 1083 ' ' LEU . 1.0 OUTLIER -58.97 -32.49 69.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.403 1.064 . . . . 0.0 108.321 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1080 ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' 1085 ' ' THR . 0.0 OUTLIER -61.38 -46.5 89.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -63.2 -39.03 93.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -20.87 48.59 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.459 1.1 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1083 ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' 1079 ' ' CYS . 5.7 mt -84.49 -23.41 29.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 76.49 25.49 65.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.549 1.155 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1085 ' ' THR . . . . . 0.504 ' O ' ' CG ' ' A' 1080 ' ' LYS . 2.2 p -135.95 120.19 17.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1086 ' ' GLU . . . . . 0.441 ' O ' ' O ' ' A' 1087 ' ' THR . 2.9 pm0 -44.59 -35.06 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.272 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' 1086 ' ' GLU . 0.6 OUTLIER 47.55 -178.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1088 ' ' LEU . . . . . 0.49 ' O ' ' CD1' ' A' 1088 ' ' LEU . 0.5 OUTLIER 68.27 -0.04 2.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1089 ' ' GLY . . . . . 0.423 ' O ' ' OD1' ' A' 1108 ' ' ASN . . . -68.96 -14.3 67.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1090 ' ' TYR . . . . . 0.511 ' OH ' ' CG2' ' A' 1109 ' ' VAL . 2.8 m-85 -81.22 160.0 24.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.433 0.726 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1091 ' ' CYS . . . . . 0.699 ' O ' ' HA ' ' A' 1106 ' ' VAL . 5.6 t -93.59 135.39 34.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1092 ' ' THR . . . . . . . . . . . . . 54.9 p -118.2 163.33 16.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -165.1 81.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1094 ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' 1094 ' ' PHE . 0.1 OUTLIER -74.24 171.91 12.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 2.3 tt0 175.8 151.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -110.85 133.43 53.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 14.3 t -112.7 127.22 27.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 142.06 27.6 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 65.74 27.34 72.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 110.971 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1100 ' ' CYS . . . . . 0.505 ' HB3' ' CH2' ' A' 1153 ' ' TRP . 7.4 m -148.67 -67.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 155.76 -124.65 1.52 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -130.2 160.64 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 0.0 109.272 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -161.2 168.72 36.57 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1104 ' ' CYS . . . . . 0.454 ' CB ' ' HA ' ' A' 1094 ' ' PHE . 28.4 p -161.64 159.61 27.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1105 ' ' LYS . . . . . 0.462 ' HE3' HG22 ' A' 1143 ' ' THR . 20.2 ttpt -129.25 154.74 46.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1106 ' ' VAL . . . . . 0.699 ' HA ' ' O ' ' A' 1091 ' ' CYS . 4.0 p -140.61 141.68 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 109.262 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1107 ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' 1091 ' ' CYS . 79.9 p -151.69 138.46 18.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1108 ' ' ASN . . . . . 0.489 ' CB ' ' HA ' ' A' 1090 ' ' TYR . 0.4 OUTLIER 162.72 -38.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1109 ' ' VAL . . . . . 0.511 ' CG2' ' OH ' ' A' 1090 ' ' TYR . 5.8 p -48.95 -24.43 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1110 ' ' GLU . . . . . 0.449 ' CD ' ' N ' ' A' 1111 ' ' GLY . 3.1 pp20? -65.48 -44.73 86.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1111 ' ' GLY . . . . . 0.449 ' N ' ' CD ' ' A' 1110 ' ' GLU . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.057 -0.401 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -86.9 113.14 22.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1143 ' ' THR . . . . . 0.462 HG22 ' HE3' ' A' 1105 ' ' LYS . 1.4 m -121.5 134.11 55.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -107.2 141.44 38.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1145 ' ' SER . . . . . . . . . . . . . 41.6 p -119.67 127.79 53.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.024 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1146 ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' 1183 ' ' ALA . 53.2 t -114.15 139.38 40.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 13.4 mt -107.82 142.2 38.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1148 ' ' ILE . . . . . 0.415 HG22 HG22 ' A' 1182 ' ' VAL . 0.5 OUTLIER -129.5 133.63 64.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.418 1.074 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 172.75 177.03 41.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 5.4 m120 -68.53 176.6 2.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.75 . . . . 0.0 109.279 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1151 ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -64.38 -27.28 68.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.367 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1152 ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.35 -43.55 81.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1153 ' ' TRP . . . . . 0.505 ' CH2' ' HB3' ' A' 1100 ' ' CYS . 11.8 t-105 -58.68 -53.81 54.12 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1154 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.32 -40.48 90.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.351 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1155 ' ' ARG . . . . . 0.461 ' HG2' ' CB ' ' A' 1166 ' ' SER . 0.0 OUTLIER -56.29 -50.95 69.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 110.233 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -72.11 -21.1 61.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -63.32 -47.41 82.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 161.09 56.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1159 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.0 -163.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1160 ' ' THR . . . . . . . . . . . . . 2.5 m -106.81 -166.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.384 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1161 ' ' ILE . . . . . . . . . . . . . 3.0 mt 62.86 155.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1162 ' ' SER . . . . . 0.413 ' HB3' ' CG2' ' A' 1165 ' ' VAL . 32.5 t -70.97 144.77 50.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1163 ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' 1167 ' ' ASP . 3.7 m -65.13 -37.04 86.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 6.5 t0 -70.73 -42.79 70.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1165 ' ' VAL . . . . . 0.413 ' CG2' ' HB3' ' A' 1162 ' ' SER . 69.0 t -62.93 -49.6 82.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1166 ' ' SER . . . . . 0.461 ' CB ' ' HG2' ' A' 1155 ' ' ARG . 5.6 t -68.8 -32.52 72.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.034 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1167 ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' 1163 ' ' SER . 2.9 t70 -64.99 -43.91 91.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -66.93 -38.54 86.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 2.4 tpt -65.07 -50.79 64.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1170 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.94 -45.59 92.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 110.428 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1171 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -39.56 92.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -53.95 -45.87 71.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.624 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1173 ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' 1177 ' ' GLN . 1.9 tt0 -60.87 -36.69 79.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 4.5 mtp -64.4 -10.99 28.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 26.7 mttt -89.8 11.49 19.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -156.34 -56.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.427 1.08 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1177 ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' 1173 ' ' GLU . 1.7 mt-30 -125.76 174.46 8.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1178 ' ' THR . . . . . . . . . . . . . 1.1 m -132.0 118.47 19.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -134.28 135.63 42.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1180 ' ' ILE . . . . . 0.486 HG13 HG23 ' A' 1192 ' ' ILE . 13.6 pt -112.56 146.85 16.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.429 1.081 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1181 ' ' LEU . . . . . . . . . . . . . 6.4 mp -99.38 138.56 36.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.625 1.203 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1182 ' ' VAL . . . . . 0.415 HG22 HG22 ' A' 1148 ' ' ILE . 0.9 OUTLIER -118.27 120.39 64.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1183 ' ' ALA . . . . . 0.414 ' O ' HG12 ' A' 1146 ' ' VAL . . . -115.97 150.51 37.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1184 ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' 1187 ' ' VAL . 1.5 tp -109.32 111.27 35.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 6.0 t0 56.29 40.55 29.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.33 15.01 76.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1187 ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' 1184 ' ' ILE . 2.2 t -115.98 154.12 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1188 ' ' LEU . . . . . 0.552 ' CB ' ' O ' ' A' 1045 ' ' LEU . 0.4 OUTLIER -59.94 141.84 54.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1189 ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' 1046 ' ' GLY . 2.1 t -144.71 -64.59 0.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 108.258 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1190 ' ' GLY . . . . . 0.494 ' HA2' ' N ' ' A' 1045 ' ' LEU . . . 177.88 159.02 22.0 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.099 . . . . 0.0 111.068 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1191 ' ' MET . . . . . . . . . . . . . 20.8 ptt? -127.52 148.64 50.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1192 ' ' ILE . . . . . 0.486 HG23 HG13 ' A' 1180 ' ' ILE . 0.6 OUTLIER -107.93 133.97 51.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -106.89 128.43 54.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.091 . . . . 0.0 109.235 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1194 ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' 1039 ' ' VAL . 1.4 mp -111.97 130.2 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.369 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1195 ' ' ALA . . . . . 0.511 ' O ' ' OXT' ' A' 1196 ' ' ASP . . . -139.37 109.94 6.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.234 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1196 ' ' ASP . . . . . 0.511 ' OXT' ' O ' ' A' 1195 ' ' ALA . 3.9 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1038 ' ' ARG . . . . . . . . . . . . . 13.9 mmt-85 -108.79 164.16 12.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1039 ' ' VAL . . . . . 0.427 ' HA ' ' CG1' ' A' 1194 ' ' ILE . 3.7 p -68.13 136.75 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1040 ' ' MET . . . . . 0.406 ' HG3' ' HB3' ' A' 1195 ' ' ALA . 0.2 OUTLIER -96.06 -42.16 8.38 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -167.92 157.14 9.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 3.0 t -119.72 137.79 52.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.73 138.75 42.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1044 ' ' LEU . . . . . 0.402 ' O ' HD11 ' A' 1045 ' ' LEU . 4.5 mt -80.28 131.7 35.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1045 ' ' LEU . . . . . 0.582 ' O ' HD23 ' A' 1188 ' ' LEU . 0.2 OUTLIER -144.98 25.85 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 109.3 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1046 ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -127.67 117.2 2.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 1.1 t0 -70.47 116.72 11.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.316 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1048 ' ' VAL . . . . . 0.507 HG22 ' HB2' ' A' 1053 ' ' LEU . 14.1 t -93.22 33.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -92.6 -10.05 38.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1050 ' ' THR . . . . . . . . . . . . . 2.0 m -127.77 -36.67 2.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.421 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1051 ' ' LEU . . . . . 0.489 ' O ' ' CG1' ' A' 1048 ' ' VAL . 1.7 mt -113.82 149.49 41.89 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1052 ' ' PRO . . . . . 0.41 ' HG2' ' CB ' ' A' 1055 ' ' LYS . 18.5 Cg_endo -74.93 138.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.461 1.769 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1053 ' ' LEU . . . . . 0.507 ' HB2' HG22 ' A' 1048 ' ' VAL . 10.8 tp -73.85 -40.43 63.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.367 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -59.6 -48.26 82.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 110.364 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1055 ' ' LYS . . . . . 0.41 ' CB ' ' HG2' ' A' 1052 ' ' PRO . 0.0 OUTLIER -64.1 -46.08 85.8 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1056 ' ' VAL . . . . . . . . . . . . . 2.5 t -57.93 -40.5 76.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.93 -35.67 81.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -68.68 -46.57 68.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1059 ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' 1060 ' ' VAL . 0.4 OUTLIER -61.48 -46.14 97.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.384 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1060 ' ' VAL . . . . . 0.412 ' N ' ' CG1' ' A' 1059 ' ' VAL . 79.9 t -67.52 -35.57 73.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1061 ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' 1065 ' ' ALA . . . -61.87 -47.1 92.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.553 1.158 . . . . 0.0 111.07 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1062 ' ' THR . . . . . 0.519 ' CG2' ' HB2' ' A' 1090 ' ' TYR . 11.1 m -75.53 -33.28 60.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 110.35 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1063 ' ' ALA . . . . . . . . . . . . . . . -56.81 -54.22 48.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1064 ' ' GLU . . . . . 0.449 ' CB ' ' CG2' ' A' 1076 ' ' THR . 1.8 mt-10 -75.43 -46.17 34.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.357 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1065 ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' 1061 ' ' GLY . . . -55.71 -23.06 26.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1066 ' ' SER . . . . . . . . . . . . . 7.2 t -113.27 28.21 8.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1067 ' ' SER . . . . . 0.52 ' HA ' ' CZ ' ' A' 1094 ' ' PHE . 82.8 p -103.84 159.61 15.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1068 ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -83.5 34.69 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1069 ' ' HIS . . . . . 0.403 ' CD2' ' HD2' ' A' 1070 ' ' PRO . 0.5 OUTLIER -113.8 123.5 32.8 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.591 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1070 ' ' PRO . . . . . 0.403 ' HD2' ' CD2' ' A' 1069 ' ' HIS . 18.5 Cg_endo -74.93 4.11 4.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.517 1.799 . . . . 0.0 111.015 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1071 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.37 -44.91 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1072 ' ' GLY . . . . . 0.413 ' O ' ' OG1' ' A' 1076 ' ' THR . . . -63.69 -39.48 97.56 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1073 ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' 1067 ' ' SER . 92.8 t -66.97 -44.46 88.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.451 0.736 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -66.28 -35.51 80.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1075 ' ' VAL . . . . . . . . . . . . . 2.5 t -60.9 -48.56 88.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1076 ' ' THR . . . . . 0.449 ' CG2' ' CB ' ' A' 1064 ' ' GLU . 0.3 OUTLIER -70.21 -44.18 69.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.37 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -41.68 77.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 2.5 t80 -66.74 -46.18 76.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -58.99 -36.67 75.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 108.234 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -40.95 85.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -40.94 98.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.237 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -78.32 -21.37 49.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.245 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 9.5 mt -83.97 -23.14 31.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 79.38 31.73 40.74 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.561 1.163 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1085 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.96 122.28 19.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 0.792 . . . . 0.0 110.342 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -97.66 13.39 30.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' 1088 ' ' LEU . 25.6 m -53.58 146.25 13.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1088 ' ' LEU . . . . . 0.459 ' CB ' ' O ' ' A' 1087 ' ' THR . 0.3 OUTLIER 166.45 156.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 134.82 36.42 0.22 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1090 ' ' TYR . . . . . 0.519 ' HB2' ' CG2' ' A' 1062 ' ' THR . 2.8 m-85 -93.68 161.67 14.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.74 . . . . 0.0 110.968 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1091 ' ' CYS . . . . . 0.583 ' O ' ' HA ' ' A' 1106 ' ' VAL . 16.5 t -95.31 113.39 25.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 108.287 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1092 ' ' THR . . . . . 0.558 ' HB ' ' CE1' ' A' 1094 ' ' PHE . 2.7 p -95.71 163.33 13.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -154.99 74.37 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1094 ' ' PHE . . . . . 0.558 ' CE1' ' HB ' ' A' 1092 ' ' THR . 17.0 m-85 -77.18 133.75 38.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -154.27 132.77 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -90.72 128.23 36.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 9.7 m -114.02 131.43 23.17 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 152.16 40.1 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.449 1.763 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 62.7 20.86 62.29 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.544 1.153 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1100 ' ' CYS . . . . . 0.597 ' SG ' ' CZ3' ' A' 1153 ' ' TRP . 1.6 m -144.48 -74.63 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 159.65 -130.35 2.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 6.3 pt -126.21 135.86 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 0.742 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -133.01 169.58 22.5 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.059 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1104 ' ' CYS . . . . . . . . . . . . . 3.5 p -162.88 139.07 7.24 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1105 ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' 1092 ' ' THR . 3.6 mttt -108.23 154.33 21.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.593 1.183 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1106 ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' A' 1091 ' ' CYS . 5.8 p -141.78 130.18 22.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1107 ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' 1108 ' ' ASN . 24.7 p -150.1 135.79 18.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1108 ' ' ASN . . . . . 0.496 ' CB ' ' HA ' ' A' 1090 ' ' TYR . 0.2 OUTLIER 161.48 -27.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1109 ' ' VAL . . . . . 0.502 ' CG2' ' OH ' ' A' 1090 ' ' TYR . 7.6 p -48.55 -25.23 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -45.68 85.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.14 141.76 32.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1143 ' ' THR . . . . . . . . . . . . . 8.5 t -121.38 135.51 55.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.405 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -105.25 139.7 39.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1145 ' ' SER . . . . . . . . . . . . . 15.9 t -119.72 130.66 55.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 0.0 110.019 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1146 ' ' VAL . . . . . 0.44 HG23 ' CD1' ' A' 1184 ' ' ILE . 57.8 t -120.34 128.7 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 1.1 mp -108.05 120.12 41.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1148 ' ' ILE . . . . . 0.451 HG22 HG11 ' A' 1182 ' ' VAL . 0.1 OUTLIER -120.58 157.39 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 166.16 -154.63 25.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.584 1.178 . . . . 0.0 110.965 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 5.4 m120 -68.78 142.88 54.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.761 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1151 ' ' ARG . . . . . 0.474 ' O ' ' CG ' ' A' 1155 ' ' ARG . 3.1 mtm180 -54.69 -27.3 39.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1152 ' ' GLU . . . . . 0.454 ' OE2' ' N ' ' A' 1153 ' ' TRP . 0.5 OUTLIER -70.03 -38.89 76.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.236 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1153 ' ' TRP . . . . . 0.597 ' CZ3' ' SG ' ' A' 1100 ' ' CYS . 0.1 OUTLIER -74.03 -52.32 13.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 107.988 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1154 ' ' LEU . . . . . 0.564 HD11 ' HB1' ' A' 1183 ' ' ALA . 0.1 OUTLIER -55.97 -47.14 78.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1155 ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' 1151 ' ' ARG . 0.9 OUTLIER -62.29 -50.32 72.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -64.94 -16.42 63.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 43.3 t30 -76.52 -66.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1158 ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' 1159 ' ' LEU . . . -63.4 -67.73 1.95 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.488 1.118 . . . . 0.0 111.072 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.596 ' CD2' ' O ' ' A' 1158 ' ' GLY . 0.0 OUTLIER 177.18 122.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1160 ' ' THR . . . . . 0.55 ' OG1' ' O ' ' A' 1159 ' ' LEU . 62.2 m -162.69 177.45 9.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 110.364 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1161 ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' 1162 ' ' SER . 0.4 OUTLIER -59.62 -153.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.323 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1162 ' ' SER . . . . . 0.485 ' N ' ' CG2' ' A' 1161 ' ' ILE . 47.9 t -66.67 143.39 57.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.048 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1163 ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.4 OUTLIER -66.28 -32.7 74.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.028 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 2.4 t0 -70.75 -39.24 73.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 19.3 t -69.95 -49.34 57.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.443 1.09 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1166 ' ' SER . . . . . . . . . . . . . 4.0 t -67.46 -33.28 74.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1167 ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' 1163 ' ' SER . 1.1 t70 -66.32 -42.7 87.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -66.88 -36.55 82.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 5.7 mmt -65.19 -48.74 72.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1170 ' ' THR . . . . . . . . . . . . . 3.0 m -66.52 -45.66 78.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1171 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.28 -41.63 84.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.38 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.96 -47.21 86.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.586 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1173 ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -65.71 -37.73 87.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 8.0 ttt -66.92 -9.35 37.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 -10.91 44.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -119.17 -57.37 0.26 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.404 1.065 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1177 ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -126.45 174.88 8.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1178 ' ' THR . . . . . . . . . . . . . 78.5 m -103.2 123.1 46.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.391 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1179 ' ' ALA . . . . . 0.431 ' CB ' ' CZ ' ' A' 1151 ' ' ARG . . . -130.93 128.07 39.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1180 ' ' ILE . . . . . . . . . . . . . 30.6 pt -134.09 129.22 53.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1181 ' ' LEU . . . . . 0.411 ' HB3' ' CB ' ' A' 1154 ' ' LEU . 0.0 OUTLIER -101.75 133.84 45.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1182 ' ' VAL . . . . . 0.451 HG11 HG22 ' A' 1148 ' ' ILE . 60.9 t -119.69 120.15 62.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1183 ' ' ALA . . . . . 0.564 ' HB1' HD11 ' A' 1154 ' ' LEU . . . -116.5 151.6 35.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1184 ' ' ILE . . . . . 0.493 ' O ' HG23 ' A' 1187 ' ' VAL . 1.2 tt -108.63 113.56 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 1.6 t70 55.74 40.49 30.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.14 14.67 76.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1187 ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' 1184 ' ' ILE . 2.3 t -114.12 153.74 15.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.492 0.76 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1188 ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' 1045 ' ' LEU . 0.3 OUTLIER -60.84 143.26 55.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1189 ' ' CYS . . . . . 0.593 ' O ' ' N ' ' A' 1046 ' ' GLY . 2.8 t -145.39 -62.63 0.34 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 108.308 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1190 ' ' GLY . . . . . 0.45 ' O ' ' HB ' ' A' 1182 ' ' VAL . . . 177.09 158.67 20.87 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1191 ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -124.55 148.14 47.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1192 ' ' ILE . . . . . . . . . . . . . 19.5 mt -109.01 134.4 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -118.58 125.66 50.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1194 ' ' ILE . . . . . 0.427 ' CG1' ' HA ' ' A' 1039 ' ' VAL . 4.1 mt -112.85 137.32 46.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1195 ' ' ALA . . . . . 0.406 ' HB3' ' HG3' ' A' 1040 ' ' MET . . . -141.1 106.41 5.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 22.2 t0 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1038 ' ' ARG . . . . . 0.481 ' HA ' HD23 ' A' 1071 ' ' LEU . 0.2 OUTLIER -108.8 163.45 13.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1039 ' ' VAL . . . . . 0.436 ' HA ' ' CG1' ' A' 1194 ' ' ILE . 4.9 m -67.73 135.92 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1040 ' ' MET . . . . . 0.413 ' HB2' ' CB ' ' A' 1195 ' ' ALA . 8.1 tpt -94.34 -42.41 8.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.63 156.91 8.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -116.77 137.21 51.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.47 130.34 54.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.24 110.86 19.91 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1045 ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' 1189 ' ' CYS . 34.4 tp -142.42 84.86 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.223 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -141.74 -141.99 4.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.439 1.087 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 3.9 t0 -149.76 144.99 26.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 0.755 . . . . 0.0 109.373 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1048 ' ' VAL . . . . . . . . . . . . . 2.3 t -131.02 33.44 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1049 ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' 1050 ' ' THR . . . -84.36 6.7 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1050 ' ' THR . . . . . 0.453 ' CB ' ' O ' ' A' 1049 ' ' ALA . 0.9 OUTLIER 169.29 -30.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1051 ' ' LEU . . . . . . . . . . . . . 23.1 mt -82.06 125.93 76.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 132.61 15.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.459 1.768 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 22.1 tp -77.18 -39.29 49.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -64.55 -47.95 76.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.92 -47.39 77.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.377 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1056 ' ' VAL . . . . . . . . . . . . . 3.3 t -58.15 -43.49 85.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 9.5 mt -64.3 -33.93 76.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -62.47 -47.02 85.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 20.1 t -69.19 -47.89 71.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1060 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.53 -38.82 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1061 ' ' GLY . . . . . 0.467 ' O ' ' HB2' ' A' 1065 ' ' ALA . . . -73.42 -36.45 54.92 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1062 ' ' THR . . . . . 0.474 ' CG2' ' HB2' ' A' 1090 ' ' TYR . 0.5 OUTLIER -60.24 -40.64 90.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 0.81 . . . . 0.0 110.361 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1063 ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' 1067 ' ' SER . . . -83.83 -43.21 15.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1064 ' ' GLU . . . . . 0.409 ' HB3' ' CB ' ' A' 1076 ' ' THR . 27.4 mt-10 -54.56 -43.61 72.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1065 ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' 1061 ' ' GLY . . . -75.03 -22.37 58.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.407 1.067 . . . . 0.0 109.335 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1066 ' ' SER . . . . . . . . . . . . . 25.1 t -112.8 31.62 6.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 109.998 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1067 ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' 1063 ' ' ALA . 5.3 m -71.24 -147.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1068 ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -137.8 11.16 2.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1069 ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -112.68 127.41 26.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.6 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1070 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.68 3.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1071 ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' 1038 ' ' ARG . 0.7 OUTLIER -167.03 -52.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.599 1.187 . . . . 0.0 109.331 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -59.48 -32.52 73.28 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.573 1.17 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1073 ' ' VAL . . . . . 0.402 ' CG1' ' O ' ' A' 1065 ' ' ALA . 38.0 t -69.49 -37.95 75.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -68.41 -35.51 77.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.081 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1075 ' ' VAL . . . . . . . . . . . . . 74.5 t -63.78 -54.64 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1076 ' ' THR . . . . . 0.434 HG21 ' N ' ' A' 1065 ' ' ALA . 0.6 OUTLIER -64.78 -41.92 95.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.178 . . . . 0.0 110.364 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -46.16 84.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 64.5 t80 -62.61 -40.12 95.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1079 ' ' CYS . . . . . 0.459 ' O ' ' CD1' ' A' 1083 ' ' LEU . 0.1 OUTLIER -63.54 -34.14 77.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 108.24 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1080 ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' 1085 ' ' THR . 0.0 OUTLIER -66.91 -43.76 82.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.25 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -42.16 98.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.95 -19.69 51.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1083 ' ' LEU . . . . . 0.459 ' CD1' ' O ' ' A' 1079 ' ' CYS . 2.1 mt -82.72 -23.31 34.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 69.97 42.18 69.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1085 ' ' THR . . . . . 0.424 ' O ' ' HG2' ' A' 1080 ' ' LYS . 0.2 OUTLIER -134.92 121.8 21.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 110.436 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -91.34 17.24 8.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.421 ' O ' ' CG ' ' A' 1088 ' ' LEU . 1.9 t -55.09 136.06 48.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.355 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1088 ' ' LEU . . . . . 0.421 ' CG ' ' O ' ' A' 1087 ' ' THR . 0.3 OUTLIER 169.55 160.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 109.357 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 116.5 27.95 2.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1090 ' ' TYR . . . . . 0.504 ' OH ' ' CG2' ' A' 1109 ' ' VAL . 6.1 m-85 -93.32 161.47 14.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 0.751 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1091 ' ' CYS . . . . . 0.57 ' O ' ' HA ' ' A' 1106 ' ' VAL . 4.3 t -94.79 113.32 25.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 108.301 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1092 ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' 1105 ' ' LYS . 29.7 p -95.65 163.02 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 5.7 t0 -158.2 74.66 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1094 ' ' PHE . . . . . . . . . . . . . 1.6 p90 -74.64 160.65 30.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -178.76 129.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.405 1.065 . . . . 0.0 110.314 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -95.08 132.5 39.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 3.0 p -115.21 129.24 25.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 148.12 35.22 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.445 1.761 . . . . 0.0 111.023 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 61.13 29.32 70.78 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1100 ' ' CYS . . . . . . . . . . . . . 1.2 m -151.16 -70.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 158.46 -128.93 2.16 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.409 1.068 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.09 154.1 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 109.31 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -151.66 159.76 28.43 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1104 ' ' CYS . . . . . . . . . . . . . 36.0 t -160.84 151.71 18.56 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1105 ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' 1092 ' ' THR . 24.4 mttt -120.04 153.65 35.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.373 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1106 ' ' VAL . . . . . 0.57 ' HA ' ' O ' ' A' 1091 ' ' CYS . 7.5 t -144.35 130.34 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1107 ' ' SER . . . . . . . . . . . . . 24.9 p -149.73 142.24 24.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.417 1.073 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1108 ' ' ASN . . . . . 0.502 ' CB ' ' HA ' ' A' 1090 ' ' TYR . 11.9 t-20 168.51 -37.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1109 ' ' VAL . . . . . 0.504 ' CG2' ' OH ' ' A' 1090 ' ' TYR . 0.4 OUTLIER -48.24 -25.84 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -61.6 -46.84 88.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.934 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.14 117.65 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 110.325 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1143 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.47 134.33 55.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.39 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -106.4 132.49 52.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1145 ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' 1185 ' ' ASP . 96.6 p -115.76 124.38 50.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.967 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1146 ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' 1183 ' ' ALA . 4.1 p -113.27 138.84 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.98 135.24 54.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1148 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -132.96 157.74 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 158.88 -147.39 14.87 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 11.2 m120 -67.76 138.95 56.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1151 ' ' ARG . . . . . 0.46 ' HB2' ' CG2' ' A' 1170 ' ' THR . 0.0 OUTLIER -51.14 -27.06 7.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1152 ' ' GLU . . . . . 0.409 ' HA ' ' OG ' ' A' 1166 ' ' SER . 0.0 OUTLIER -67.89 -37.11 81.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1153 ' ' TRP . . . . . 0.584 ' CE3' ' O ' ' A' 1153 ' ' TRP . 1.5 t-105 -66.01 -48.3 71.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1154 ' ' LEU . . . . . 0.432 ' CD1' ' CB ' ' A' 1183 ' ' ALA . 3.6 mm? -65.6 -36.08 82.7 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1155 ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' 1159 ' ' LEU . 0.0 OUTLIER -65.96 -44.66 84.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.367 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1156 ' ' ARG . . . . . 0.488 ' CZ ' ' OG ' ' A' 1163 ' ' SER . 10.6 mtp180 -71.82 -22.35 61.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.077 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1157 ' ' ASN . . . . . 0.425 ' ND2' ' CH2' ' A' 1153 ' ' TRP . 8.6 t-20 -82.15 -66.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . -61.61 -48.35 85.04 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' 1159 ' ' LEU . 0.0 OUTLIER -124.78 -160.56 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.787 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1160 ' ' THR . . . . . 0.501 ' O ' ' CG1' ' A' 1161 ' ' ILE . 1.6 m -127.65 165.02 20.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1161 ' ' ILE . . . . . 0.536 ' CG2' ' N ' ' A' 1162 ' ' SER . 0.4 OUTLIER 163.93 169.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1162 ' ' SER . . . . . 0.536 ' N ' ' CG2' ' A' 1161 ' ' ILE . 1.0 OUTLIER -67.5 141.04 57.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 109.99 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1163 ' ' SER . . . . . 0.531 ' O ' ' CB ' ' A' 1167 ' ' ASP . 28.0 m -71.65 -39.57 70.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 67.2 t0 -71.73 -41.16 68.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 48.9 t -65.98 -50.19 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1166 ' ' SER . . . . . 0.409 ' OG ' ' HA ' ' A' 1152 ' ' GLU . 1.9 t -66.75 -46.83 74.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.002 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1167 ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' 1163 ' ' SER . 4.8 t70 -60.85 -37.28 81.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.77 90.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 36.8 mmm -61.6 -49.48 76.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1170 ' ' THR . . . . . 0.46 ' CG2' ' HB2' ' A' 1151 ' ' ARG . 4.4 p -62.43 -46.85 86.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.349 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1171 ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.3 OUTLIER -58.61 -43.86 89.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 3.1 t60 -53.53 -47.34 70.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.639 1.212 . . . . 0.0 109.669 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1173 ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' 1177 ' ' GLN . 6.5 mm-40 -60.53 -37.59 81.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.244 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1174 ' ' MET . . . . . 0.405 ' HA ' ' O ' ' A' 1177 ' ' GLN . 0.0 OUTLIER -76.12 -8.43 57.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.22 10.32 17.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -150.39 -58.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1177 ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' 1174 ' ' MET . 55.9 mm-40 -127.29 174.61 8.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.767 . . . . 0.0 110.327 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1178 ' ' THR . . . . . 0.452 ' CG2' ' HB ' ' A' 1194 ' ' ILE . 53.3 m -96.86 119.09 34.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 110.322 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -127.88 127.51 43.52 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.531 1.145 . . . . 0.0 109.359 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1180 ' ' ILE . . . . . 0.426 ' CG1' ' O ' ' A' 1192 ' ' ILE . 18.6 pt -137.16 133.95 47.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1181 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.05 137.8 38.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1182 ' ' VAL . . . . . 0.424 ' O ' ' SG ' ' A' 1189 ' ' CYS . 1.8 t -120.35 123.33 70.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1183 ' ' ALA . . . . . 0.447 ' O ' HG22 ' A' 1146 ' ' VAL . . . -121.67 144.26 48.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1184 ' ' ILE . . . . . 0.783 ' O ' HG13 ' A' 1187 ' ' VAL . 1.2 tt -112.52 131.26 64.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1185 ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' 1145 ' ' SER . 0.5 OUTLIER 55.27 33.89 21.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.53 14.72 77.48 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.1 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1187 ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' 1184 ' ' ILE . 1.1 p -119.46 153.07 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1188 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.49 149.19 39.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1189 ' ' CYS . . . . . 0.575 ' SG ' ' N ' ' A' 1190 ' ' GLY . 1.9 p -146.07 -46.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 108.322 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1190 ' ' GLY . . . . . 0.575 ' N ' ' SG ' ' A' 1189 ' ' CYS . . . 167.05 155.75 9.28 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1191 ' ' MET . . . . . . . . . . . . . 8.7 ptp -115.17 149.11 38.17 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.483 0.755 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1192 ' ' ILE . . . . . 0.426 ' O ' ' CG1' ' A' 1180 ' ' ILE . 18.3 mt -107.98 128.7 63.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -110.66 126.37 54.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1194 ' ' ILE . . . . . 0.452 ' HB ' ' CG2' ' A' 1178 ' ' THR . 6.7 mt -110.01 138.59 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1195 ' ' ALA . . . . . 0.413 ' CB ' ' HB2' ' A' 1040 ' ' MET . . . -132.0 104.82 7.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 109.313 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1037 ' ' PRO . . . . . 0.51 ' O ' HD11 ' A' 1071 ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.849 0 N-CA-C 111.068 -0.397 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1038 ' ' ARG . . . . . 0.463 ' O ' HG22 ' A' 1194 ' ' ILE . 0.0 OUTLIER -104.21 162.08 13.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1039 ' ' VAL . . . . . . . . . . . . . 3.8 m -68.39 136.57 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1040 ' ' MET . . . . . 0.446 ' SD ' ' CB ' ' A' 1195 ' ' ALA . 8.6 ptt? -100.11 -38.24 8.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1041 ' ' ARG . . . . . 0.46 ' NE ' HD13 ' A' 1043 ' ' LEU . 0.1 OUTLIER -171.26 158.82 5.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1042 ' ' VAL . . . . . 0.694 HG21 ' O ' ' A' 1191 ' ' MET . 1.7 p -124.33 137.24 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.615 1.197 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1043 ' ' LEU . . . . . 0.46 HD13 ' NE ' ' A' 1041 ' ' ARG . 0.0 OUTLIER -102.23 151.62 22.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 5.1 tp -92.33 131.97 37.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1045 ' ' LEU . . . . . 0.55 ' O ' ' CG ' ' A' 1188 ' ' LEU . 0.3 OUTLIER -146.61 25.88 1.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1046 ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -107.57 -148.62 14.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 1.6 t70 175.61 170.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1048 ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' 1051 ' ' LEU . 42.6 t -113.93 27.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -93.65 -5.88 47.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1050 ' ' THR . . . . . . . . . . . . . 7.9 m -136.62 -39.22 0.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.403 1.064 . . . . 0.0 110.392 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1051 ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' 1048 ' ' VAL . 13.1 mt -153.33 149.77 22.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.224 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 132.6 15.68 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.801 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.25 -27.16 68.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.37 -49.3 76.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.243 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -40.4 94.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1056 ' ' VAL . . . . . . . . . . . . . 12.7 t -63.57 -38.85 83.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.603 1.189 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1057 ' ' LEU . . . . . 0.407 ' O ' HG13 ' A' 1060 ' ' VAL . 0.2 OUTLIER -64.54 -36.96 85.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -68.0 -45.26 74.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1059 ' ' VAL . . . . . 0.473 HG23 ' CG1' ' A' 1109 ' ' VAL . 0.4 OUTLIER -63.26 -42.0 94.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1060 ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' 1057 ' ' LEU . 0.4 OUTLIER -68.44 -34.85 67.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.352 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1061 ' ' GLY . . . . . 0.461 ' HA2' ' CG2' ' A' 1076 ' ' THR . . . -60.79 -48.35 86.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.421 1.075 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1062 ' ' THR . . . . . . . . . . . . . 51.3 m -79.16 -31.05 43.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 0.75 . . . . 0.0 110.425 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1063 ' ' ALA . . . . . 0.566 ' HA ' ' CD2' ' A' 1090 ' ' TYR . . . -62.66 -53.74 49.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1064 ' ' GLU . . . . . 0.522 ' O ' ' CG2' ' A' 1073 ' ' VAL . 0.1 OUTLIER -71.03 -45.28 64.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1065 ' ' ALA . . . . . 0.482 ' O ' ' CG1' ' A' 1073 ' ' VAL . . . -54.4 -36.55 64.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1066 ' ' SER . . . . . 0.447 ' O ' ' OG ' ' A' 1066 ' ' SER . 5.2 t -117.41 35.08 4.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1067 ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' 1068 ' ' GLU . 0.4 OUTLIER -86.68 -27.97 23.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.971 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1068 ' ' GLU . . . . . 0.541 ' CB ' ' O ' ' A' 1067 ' ' SER . 0.4 OUTLIER 89.72 27.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1069 ' ' HIS . . . . . . . . . . . . . 10.0 t60 -111.09 127.13 27.38 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.647 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1070 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 54.72 3.72 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.47 1.773 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1071 ' ' LEU . . . . . 0.51 HD11 ' O ' ' A' 1037 ' ' PRO . 1.9 mt -178.6 -52.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1072 ' ' GLY . . . . . 0.449 ' O ' ' OG1' ' A' 1076 ' ' THR . . . -67.88 -33.69 80.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.449 1.093 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1073 ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' 1064 ' ' GLU . 75.3 t -70.04 -35.9 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.59 0.817 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -69.33 -38.35 78.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1075 ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' 1076 ' ' THR . 0.4 OUTLIER -61.51 -50.95 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1076 ' ' THR . . . . . 0.49 ' N ' ' CG1' ' A' 1075 ' ' VAL . 0.4 OUTLIER -68.53 -38.18 80.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.421 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -58.28 -47.08 84.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.376 1.047 . . . . 0.0 109.252 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -45.02 95.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -61.77 -34.65 76.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 108.307 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -38.1 84.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -63.64 -44.09 94.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -20.7 52.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 8.9 mt -83.74 -23.03 31.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 70.44 39.96 68.96 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1085 ' ' THR . . . . . . . . . . . . . 2.3 p -136.84 121.06 17.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 0.741 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -94.4 24.86 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 2.6 m -60.7 125.25 23.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1088 ' ' LEU . . . . . . . . . . . . . 9.6 mt -156.69 126.47 6.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.611 1.195 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1089 ' ' GLY . . . . . 0.526 ' O ' ' CG ' ' A' 1108 ' ' ASN . . . 161.33 39.44 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.575 1.172 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1090 ' ' TYR . . . . . 0.604 ' CE2' HG23 ' A' 1092 ' ' THR . 0.2 OUTLIER -83.03 142.18 31.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 111.046 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1091 ' ' CYS . . . . . 0.591 ' O ' ' HA ' ' A' 1106 ' ' VAL . 15.5 t -100.85 124.8 47.06 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.502 1.126 . . . . 0.0 108.302 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1092 ' ' THR . . . . . 0.604 HG23 ' CE2' ' A' 1090 ' ' TYR . 2.2 p -92.72 137.59 32.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.431 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1093 ' ' ASP . . . . . 0.502 ' O ' ' CG ' ' A' 1105 ' ' LYS . 9.1 m-20 -163.01 78.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1094 ' ' PHE . . . . . 0.547 ' HA ' ' HA ' ' A' 1104 ' ' CYS . 43.2 p90 -107.92 -167.16 1.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 3.6 tt0 177.22 155.41 0.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -93.41 126.84 38.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.14 125.16 29.69 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 152.35 40.14 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.533 1.807 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 49.01 27.05 6.4 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1100 ' ' CYS . . . . . 0.492 ' O ' ' CG ' ' A' 1153 ' ' TRP . 8.0 m -141.63 -71.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 157.15 -127.44 1.94 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.44 1.087 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1102 ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' 1148 ' ' ILE . 1.2 pt -135.53 135.65 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.566 0.804 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -126.47 132.43 7.75 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.495 1.122 . . . . 0.0 111.045 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1104 ' ' CYS . . . . . 0.547 ' HA ' ' HA ' ' A' 1094 ' ' PHE . 3.1 p -121.48 145.23 48.15 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1105 ' ' LYS . . . . . 0.502 ' CG ' ' O ' ' A' 1093 ' ' ASP . 18.7 mtpt -118.73 153.56 34.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1106 ' ' VAL . . . . . 0.591 ' HA ' ' O ' ' A' 1091 ' ' CYS . 0.9 OUTLIER -140.53 135.22 35.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1107 ' ' SER . . . . . 0.577 ' O ' ' CB ' ' A' 1108 ' ' ASN . 0.7 OUTLIER -149.54 134.91 18.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.962 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1108 ' ' ASN . . . . . 0.577 ' CB ' ' O ' ' A' 1107 ' ' SER . 2.9 m-20 149.59 -24.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.247 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1109 ' ' VAL . . . . . 0.473 ' CG1' HG23 ' A' 1059 ' ' VAL . 24.8 m -57.25 -21.69 15.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1110 ' ' GLU . . . . . 0.402 ' C ' ' CD ' ' A' 1110 ' ' GLU . 5.4 tm-20 -66.19 -45.19 81.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.448 1.093 . . . . 0.0 110.32 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -63.39 122.35 16.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1143 ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.6 129.65 53.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.419 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -106.05 142.49 35.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1145 ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' 1185 ' ' ASP . 26.7 p -116.84 130.4 56.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1146 ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' 1183 ' ' ALA . 43.8 t -123.13 128.88 75.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 5.6 mt -107.81 122.72 47.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1148 ' ' ILE . . . . . 0.405 HG23 ' HA ' ' A' 1182 ' ' VAL . 1.2 pt -119.47 157.3 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 158.54 -165.11 33.84 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.601 1.188 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 9.0 m120 -68.53 149.44 49.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 0.726 . . . . 0.0 109.273 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1151 ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -52.8 -34.2 52.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1152 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -38.21 88.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1153 ' ' TRP . . . . . 0.52 ' CE3' ' O ' ' A' 1153 ' ' TRP . 1.2 t-105 -60.23 -53.38 58.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 107.988 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1154 ' ' LEU . . . . . . . . . . . . . 6.9 mp -59.51 -41.12 89.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1155 ' ' ARG . . . . . 0.475 ' CD ' ' O ' ' A' 1160 ' ' THR . 33.7 mmt-85 -58.7 -46.21 87.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.273 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -71.25 -22.86 61.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 46.6 t30 -68.05 -50.34 55.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 169.81 52.84 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.434 1.084 . . . . 0.0 110.953 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1159 ' ' LEU . . . . . 0.426 ' O ' ' O ' ' A' 1160 ' ' THR . 0.3 OUTLIER -133.31 138.35 46.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.246 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1160 ' ' THR . . . . . 0.475 ' O ' ' CD ' ' A' 1155 ' ' ARG . 2.7 m -52.81 -170.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.551 1.157 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1161 ' ' ILE . . . . . . . . . . . . . 2.6 mp 66.59 148.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1162 ' ' SER . . . . . . . . . . . . . 41.6 t -70.07 143.73 52.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.015 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -35.16 79.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.947 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.82 -38.37 73.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 38.4 t -64.21 -50.38 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1166 ' ' SER . . . . . 0.455 ' CB ' ' HG3' ' A' 1155 ' ' ARG . 5.8 t -69.65 -34.42 73.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.026 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1167 ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.42 -44.85 89.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.14 84.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 4.3 ttt -64.88 -49.59 69.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1170 ' ' THR . . . . . . . . . . . . . 8.9 m -63.33 -49.0 75.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 110.371 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1171 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -41.37 93.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 10.6 m170 -55.72 -47.43 76.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.59 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1173 ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' 1177 ' ' GLN . 1.4 tt0 -58.49 -37.6 75.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -10.34 14.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 3.4 tttt -87.16 8.33 24.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.174 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -155.68 -57.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.402 1.064 . . . . 0.0 111.046 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1177 ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' 1173 ' ' GLU . 7.6 mp0 -125.93 174.9 8.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1178 ' ' THR . . . . . . . . . . . . . 2.3 m -105.16 122.55 46.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -130.0 128.45 42.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1180 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.38 145.58 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1181 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.43 140.56 34.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1182 ' ' VAL . . . . . 0.405 ' HA ' HG23 ' A' 1148 ' ' ILE . 48.8 t -119.14 120.99 65.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1183 ' ' ALA . . . . . 0.431 ' O ' HG13 ' A' 1146 ' ' VAL . . . -120.59 149.13 42.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1184 ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' 1187 ' ' VAL . 1.4 tt -110.09 111.93 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1185 ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' 1145 ' ' SER . 40.7 t0 55.33 40.74 31.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.359 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.93 14.13 78.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1187 ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' 1184 ' ' ILE . 2.4 t -115.11 153.67 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 0.728 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1188 ' ' LEU . . . . . 0.55 ' CG ' ' O ' ' A' 1045 ' ' LEU . 0.6 OUTLIER -60.37 143.75 52.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1189 ' ' CYS . . . . . 0.555 ' O ' ' N ' ' A' 1046 ' ' GLY . 2.7 t -147.55 -59.68 0.27 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 0.0 108.347 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1190 ' ' GLY . . . . . 0.471 ' HA2' ' HB2' ' A' 1045 ' ' LEU . . . -179.13 -166.84 35.7 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1191 ' ' MET . . . . . 0.694 ' O ' HG21 ' A' 1042 ' ' VAL . 10.2 ptm -151.34 150.69 30.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 111.064 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1192 ' ' ILE . . . . . . . . . . . . . 2.0 mm -107.07 133.83 50.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -122.29 120.25 33.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1194 ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' 1038 ' ' ARG . 7.2 mt -119.51 137.65 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1195 ' ' ALA . . . . . 0.446 ' CB ' ' SD ' ' A' 1040 ' ' MET . . . -141.33 114.76 8.84 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.423 1.077 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 7.3 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1033 ' ' GLY . . . . . 0.446 ' O ' ' CD2' ' A' 1034 ' ' HIS . . . -142.51 -177.59 17.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1034 ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' 1033 ' ' GLY . 22.4 m170 -147.06 109.58 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.546 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 2.8 ttt -162.3 124.76 2.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1036 ' ' VAL . . . . . 0.423 ' CG2' ' HG3' ' A' 1070 ' ' PRO . 14.2 m -98.64 128.3 33.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1037 ' ' PRO . . . . . 0.431 ' HB2' ' CG2' ' A' 1194 ' ' ILE . 18.2 Cg_endo -75.07 -162.76 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.496 1.787 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1038 ' ' ARG . . . . . 0.751 ' O ' HG22 ' A' 1194 ' ' ILE . 5.5 mtp180 -135.88 154.79 51.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1039 ' ' VAL . . . . . . . . . . . . . 64.6 t -72.46 136.89 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.24 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1040 ' ' MET . . . . . . . . . . . . . 13.3 tpt -103.99 -44.09 5.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 6.4 ptt180 -169.8 157.09 6.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.413 1.071 . . . . 0.0 110.302 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -117.95 138.98 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.82 149.81 40.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 2.8 mt -77.45 136.08 38.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1045 ' ' LEU . . . . . 0.554 ' O ' ' CB ' ' A' 1188 ' ' LEU . 2.1 tp -144.72 22.5 1.61 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.416 1.072 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1046 ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -119.51 -151.85 8.95 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 10.1 t0 175.93 162.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 109.278 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1048 ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' 1051 ' ' LEU . 34.5 t -93.99 24.82 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -94.67 -12.26 27.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1050 ' ' THR . . . . . 0.473 ' O ' ' CD1' ' A' 1051 ' ' LEU . 18.9 m -118.37 -35.23 3.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.45 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1051 ' ' LEU . . . . . 0.494 HD22 ' HD2' ' A' 1052 ' ' PRO . 0.1 OUTLIER -173.63 168.31 2.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1052 ' ' PRO . . . . . 0.494 ' HD2' HD22 ' A' 1051 ' ' LEU . 18.3 Cg_endo -75.09 133.13 16.08 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.525 1.803 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1053 ' ' LEU . . . . . 0.429 ' HG ' ' CD1' ' A' 1057 ' ' LEU . 9.9 tp -68.27 -26.05 65.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -49.05 72.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -48.13 73.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1056 ' ' VAL . . . . . 0.496 ' O ' HG11 ' A' 1059 ' ' VAL . 3.5 t -58.58 -38.51 71.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.202 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1057 ' ' LEU . . . . . 0.429 ' CD1' ' HG ' ' A' 1053 ' ' LEU . 12.8 mt -67.53 -34.3 76.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1058 ' ' ALA . . . . . 0.433 ' O ' ' OG1' ' A' 1062 ' ' THR . . . -61.58 -50.55 72.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1059 ' ' VAL . . . . . 0.634 HG23 ' CD2' ' A' 1090 ' ' TYR . 9.2 p -70.15 -43.65 78.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.224 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1060 ' ' VAL . . . . . 0.525 ' O ' ' CG ' ' A' 1064 ' ' GLU . 3.9 t -57.52 -36.35 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1061 ' ' GLY . . . . . 0.416 ' O ' HG22 ' A' 1076 ' ' THR . . . -73.97 -36.64 51.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1062 ' ' THR . . . . . 0.534 ' CG2' ' HB2' ' A' 1090 ' ' TYR . 10.4 m -60.68 -39.96 90.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 110.44 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1063 ' ' ALA . . . . . . . . . . . . . . . -84.45 -42.25 15.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1064 ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' 1060 ' ' VAL . 4.5 mm-40 -54.63 -45.48 73.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1065 ' ' ALA . . . . . 0.514 ' HB3' HG21 ' A' 1076 ' ' THR . . . -75.56 -22.16 57.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1066 ' ' SER . . . . . 0.601 ' O ' ' CB ' ' A' 1067 ' ' SER . 3.1 t -62.1 -12.78 21.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.027 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1067 ' ' SER . . . . . 0.601 ' CB ' ' O ' ' A' 1066 ' ' SER . 3.9 p 94.56 152.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1068 ' ' GLU . . . . . 0.519 ' CB ' ' O ' ' A' 1067 ' ' SER . 1.0 OUTLIER 159.2 -28.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1069 ' ' HIS . . . . . 0.491 ' CD2' ' HD2' ' A' 1070 ' ' PRO . 11.4 t60 -127.11 140.06 36.81 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.649 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1070 ' ' PRO . . . . . 0.491 ' HD2' ' CD2' ' A' 1069 ' ' HIS . 18.4 Cg_endo -74.9 44.2 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.773 . . . . 0.0 111.041 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1071 ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' 1070 ' ' PRO . 0.2 OUTLIER 174.11 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 -179.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -56.9 -38.13 82.55 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1073 ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' 1074 ' ' ALA . 0.3 OUTLIER -62.96 -47.9 90.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1074 ' ' ALA . . . . . 0.466 ' N ' ' CG1' ' A' 1073 ' ' VAL . . . -67.1 -33.0 74.52 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1075 ' ' VAL . . . . . . . . . . . . . 34.7 t -64.42 -51.46 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.213 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1076 ' ' THR . . . . . 0.514 HG21 ' HB3' ' A' 1065 ' ' ALA . 0.8 OUTLIER -65.29 -50.39 65.88 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.49 1.119 . . . . 0.0 110.395 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -37.37 71.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1078 ' ' TYR . . . . . 0.441 ' CB ' ' O ' ' A' 1074 ' ' ALA . 18.9 t80 -66.55 -50.21 63.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 111.048 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1079 ' ' CYS . . . . . 0.469 ' O ' ' CD1' ' A' 1083 ' ' LEU . 5.0 p -61.29 -34.36 75.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.254 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -46.5 88.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.402 1.064 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.81 -35.9 81.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.53 -21.49 48.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1083 ' ' LEU . . . . . 0.469 ' CD1' ' O ' ' A' 1079 ' ' CYS . 1.7 mt -83.95 -23.85 30.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 76.18 29.36 58.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.143 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1085 ' ' THR . . . . . . . . . . . . . 1.6 p -136.71 121.33 18.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 110.39 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1086 ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' 1087 ' ' THR . 11.4 pt-20 -93.78 25.73 3.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.475 ' O ' ' CD1' ' A' 1088 ' ' LEU . 5.1 m -36.35 146.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.343 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1088 ' ' LEU . . . . . 0.475 ' CD1' ' O ' ' A' 1087 ' ' THR . 0.0 OUTLIER 169.08 114.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 171.71 36.4 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1090 ' ' TYR . . . . . 0.634 ' CD2' HG23 ' A' 1059 ' ' VAL . 0.1 OUTLIER -115.32 154.25 29.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.987 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1091 ' ' CYS . . . . . 0.581 ' O ' ' HA ' ' A' 1106 ' ' VAL . 53.8 t -109.45 114.25 27.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 108.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1092 ' ' THR . . . . . 0.428 ' HA ' ' O ' ' A' 1105 ' ' LYS . 0.2 OUTLIER -94.02 165.74 12.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 110.398 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -160.9 81.73 0.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1094 ' ' PHE . . . . . 0.466 ' HA ' ' CB ' ' A' 1104 ' ' CYS . 1.5 p90 -73.24 166.76 22.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -178.57 146.7 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 110.245 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -105.72 129.57 53.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 1.4 t -114.74 131.0 23.64 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 149.75 36.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.556 1.819 . . . . 0.0 110.983 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 56.31 32.21 60.27 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.423 1.077 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1100 ' ' CYS . . . . . 0.437 ' O ' ' CG ' ' A' 1153 ' ' TRP . 86.2 m -150.59 -68.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 150.75 -131.56 3.59 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.579 1.175 . . . . 0.0 111.006 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -116.81 156.44 18.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -157.5 162.49 32.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1104 ' ' CYS . . . . . 0.466 ' CB ' ' HA ' ' A' 1094 ' ' PHE . 31.4 p -163.21 158.26 21.42 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1105 ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' 1092 ' ' THR . 4.4 mtpt -129.37 153.22 48.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.386 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1106 ' ' VAL . . . . . 0.581 ' HA ' ' O ' ' A' 1091 ' ' CYS . 6.3 p -144.44 126.73 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1107 ' ' SER . . . . . 0.465 ' CB ' ' OG1' ' A' 1143 ' ' THR . 1.5 p -150.67 142.51 23.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1108 ' ' ASN . . . . . 0.473 HD21 ' N ' ' A' 1091 ' ' CYS . 1.0 OUTLIER 162.92 -32.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1109 ' ' VAL . . . . . 0.528 ' CG1' ' OH ' ' A' 1090 ' ' TYR . 5.7 p -45.0 -27.58 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.225 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -70.09 -46.64 64.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1111 ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' 1108 ' ' ASN . . . -61.87 -36.58 93.0 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1112 ' ' ILE . . . . . . . . . . . . . 29.1 mm -71.49 -37.62 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1113 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.06 -39.16 93.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.199 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1114 ' ' ALA . . . . . . . . . . . . . . . -116.99 106.05 12.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -47.22 171.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.604 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.61 -178.57 4.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.85 64.17 1.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.261 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 55.18 76.07 0.54 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 72.32 4.68 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.07 90.31 2.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.1 170.31 9.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 110.027 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1122 ' ' ALA . . . . . . . . . . . . . . . -139.11 75.15 35.13 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.1 4.19 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.521 1.801 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . -173.1 170.01 4.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1125 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 67.7 101.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1126 ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -126.7 -42.81 1.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.578 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' 1128 ' ' ASN . 0.3 OUTLIER -57.72 -15.96 9.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1128 ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' 1127 ' ' LEU . 39.8 t-20 -38.47 143.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.148 . . . . 0.0 109.363 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.37 -59.28 4.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . -146.33 69.95 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . -90.08 -85.91 1.34 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 71.14 96.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 0.786 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1133 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.79 135.86 42.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1134 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 74.61 3.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.783 . . . . 0.0 111.072 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -125.54 91.73 3.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -164.32 -178.97 5.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.66 121.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.238 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -155.15 122.72 5.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -115.23 91.45 3.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1140 ' ' VAL . . . . . 0.461 HG21 ' HD2' ' A' 1141 ' ' PRO . 0.5 OUTLIER -42.5 136.68 2.43 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.355 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1141 ' ' PRO . . . . . 0.461 ' HD2' HG21 ' A' 1140 ' ' VAL . 18.0 Cg_endo -75.0 -178.56 4.26 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.456 1.766 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -72.61 121.43 19.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 110.295 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1143 ' ' THR . . . . . 0.465 ' OG1' ' CB ' ' A' 1107 ' ' SER . 1.9 m -120.69 133.66 55.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.457 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -106.69 142.04 36.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 26.0 t -119.17 127.43 53.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1146 ' ' VAL . . . . . 0.468 ' CG2' HG13 ' A' 1184 ' ' ILE . 40.4 t -118.11 125.82 74.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 5.2 mt -108.29 138.36 44.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1148 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.63 154.37 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 157.35 -162.13 31.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.138 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 11.0 m120 -68.7 155.6 39.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1151 ' ' ARG . . . . . 0.531 ' HG2' HD11 ' A' 1181 ' ' LEU . 33.2 mtp180 -59.59 -34.02 72.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1152 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.69 -37.02 84.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1153 ' ' TRP . . . . . 0.437 ' CG ' ' O ' ' A' 1100 ' ' CYS . 2.7 t-105 -60.75 -52.36 65.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1154 ' ' LEU . . . . . 0.508 ' CD1' ' CB ' ' A' 1183 ' ' ALA . 3.6 mm? -61.78 -41.12 97.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1155 ' ' ARG . . . . . 0.463 ' NH2' HD11 ' A' 1161 ' ' ILE . 0.5 OUTLIER -56.85 -48.79 77.25 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.72 -24.24 62.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 55.1 t30 -64.37 -46.32 83.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 160.38 56.24 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1159 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.91 -160.37 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1160 ' ' THR . . . . . . . . . . . . . 2.4 m -107.75 -169.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.366 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1161 ' ' ILE . . . . . 0.463 HD11 ' NH2' ' A' 1155 ' ' ARG . 26.8 mt 59.17 160.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1162 ' ' SER . . . . . 0.439 ' N ' ' CG2' ' A' 1161 ' ' ILE . 36.4 t -76.76 144.24 39.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1163 ' ' SER . . . . . 0.421 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.3 OUTLIER -65.01 -36.2 83.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.584 1.178 . . . . 0.0 110.042 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 19.7 t0 -71.02 -39.87 72.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 37.2 t -64.36 -50.65 75.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1166 ' ' SER . . . . . 0.417 ' CB ' ' HE ' ' A' 1155 ' ' ARG . 6.0 t -68.43 -34.51 76.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1167 ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' 1163 ' ' SER . 4.0 t70 -64.9 -45.66 84.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1168 ' ' ALA . . . . . 0.576 ' O ' ' CD2' ' A' 1172 ' ' HIS . . . -64.87 -36.16 83.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -49.97 65.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1170 ' ' THR . . . . . . . . . . . . . 2.5 m -63.46 -48.75 76.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.42 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1171 ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.1 OUTLIER -61.27 -42.77 99.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1172 ' ' HIS . . . . . 0.576 ' CD2' ' O ' ' A' 1168 ' ' ALA . 10.6 m170 -54.44 -46.58 73.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.546 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1173 ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' 1177 ' ' GLN . 0.2 OUTLIER -57.11 -37.38 71.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.69 -10.37 8.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 16.9 tttt -86.3 10.47 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -160.87 -56.27 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1177 ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' 1173 ' ' GLU . 7.4 pt20 -125.51 174.16 8.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1178 ' ' THR . . . . . . . . . . . . . 22.0 m -108.53 119.86 40.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.468 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -112.84 130.15 56.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1180 ' ' ILE . . . . . 0.443 HD12 ' CG2' ' A' 1192 ' ' ILE . 30.8 pt -135.9 129.79 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1181 ' ' LEU . . . . . 0.531 HD11 ' HG2' ' A' 1151 ' ' ARG . 1.2 mp -102.42 138.36 39.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.384 1.053 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1182 ' ' VAL . . . . . 0.414 ' HB ' ' O ' ' A' 1190 ' ' GLY . 1.0 OUTLIER -119.58 119.52 60.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1183 ' ' ALA . . . . . 0.508 ' CB ' ' CD1' ' A' 1154 ' ' LEU . . . -118.0 149.75 40.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1184 ' ' ILE . . . . . 0.509 HD13 ' SG ' ' A' 1189 ' ' CYS . 0.7 OUTLIER -108.82 115.41 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 3.5 t0 54.44 39.4 31.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.26 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.46 14.79 77.29 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.105 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1187 ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' 1184 ' ' ILE . 0.3 OUTLIER -113.82 153.74 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.347 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1188 ' ' LEU . . . . . 0.554 ' CB ' ' O ' ' A' 1045 ' ' LEU . 0.4 OUTLIER -61.15 142.18 56.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1189 ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' 1046 ' ' GLY . 5.5 t -145.1 -62.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 108.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1190 ' ' GLY . . . . . 0.478 ' HA2' ' N ' ' A' 1045 ' ' LEU . . . 178.44 159.39 22.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1191 ' ' MET . . . . . 0.444 ' CB ' HD12 ' A' 1181 ' ' LEU . 4.5 ptm -123.55 148.88 45.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 0.746 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1192 ' ' ILE . . . . . 0.443 ' CG2' HD12 ' A' 1180 ' ' ILE . 19.5 mt -108.12 130.86 59.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -111.0 121.84 46.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.24 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1194 ' ' ILE . . . . . 0.751 HG22 ' O ' ' A' 1038 ' ' ARG . 2.4 mt -107.58 136.78 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -140.64 106.86 5.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 5.4 t70 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . 73.33 168.12 13.87 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.594 1.184 . . . . 0.0 110.965 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1034 ' ' HIS . . . . . . . . . . . . . 1.1 t60 -127.66 64.84 1.35 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.488 0.758 . . . . 0.0 109.586 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -162.52 111.8 1.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1036 ' ' VAL . . . . . . . . . . . . . 92.9 t -96.7 140.54 22.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 176.0 10.5 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.578 1.83 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1038 ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.86 160.04 39.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.326 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1039 ' ' VAL . . . . . 0.404 HG23 HG22 ' A' 1192 ' ' ILE . 12.6 p -74.71 132.19 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1040 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.42 -41.8 11.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 5.3 ptt-85 -168.06 156.08 8.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.515 1.135 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -118.71 138.14 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.147 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.23 146.97 29.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.517 ' C ' ' CD2' ' A' 1045 ' ' LEU . 3.2 mt -84.66 126.04 33.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1045 ' ' LEU . . . . . 0.58 ' O ' ' HB3' ' A' 1188 ' ' LEU . 2.6 mm? -141.4 29.86 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1046 ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -133.32 117.94 2.02 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.12 124.62 25.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1048 ' ' VAL . . . . . 0.459 ' CG1' ' HB2' ' A' 1053 ' ' LEU . 2.4 t -94.24 31.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -93.05 -15.76 25.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1050 ' ' THR . . . . . . . . . . . . . 2.4 m -127.74 -35.9 2.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1051 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.54 144.11 28.87 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 133.48 16.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1053 ' ' LEU . . . . . 0.459 ' HB2' ' CG1' ' A' 1048 ' ' VAL . 17.1 tp -78.21 -34.37 49.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -40.96 90.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 110.357 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -49.5 44.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1056 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.27 -37.08 72.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.595 1.184 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.61 -45.34 90.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.53 86.02 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.432 1.082 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 92.5 t -59.38 -47.02 92.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.364 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1060 ' ' VAL . . . . . . . . . . . . . 53.7 t -66.64 -35.16 74.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1061 ' ' GLY . . . . . 0.455 ' HA2' ' CG2' ' A' 1076 ' ' THR . . . -61.52 -46.86 93.46 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1062 ' ' THR . . . . . 0.48 HG22 ' HB3' ' A' 1090 ' ' TYR . 86.0 m -74.64 -30.47 61.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 0.763 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1063 ' ' ALA . . . . . 0.732 ' CB ' ' CE2' ' A' 1090 ' ' TYR . . . -65.01 -55.29 19.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1064 ' ' GLU . . . . . 0.424 ' HB2' HG22 ' A' 1076 ' ' THR . 2.9 mt-10 -63.02 -46.78 85.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1065 ' ' ALA . . . . . 0.432 ' HA ' ' CG2' ' A' 1073 ' ' VAL . . . -62.2 -23.21 66.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1066 ' ' SER . . . . . . . . . . . . . 8.4 t -105.5 19.01 21.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1067 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.02 -150.27 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.044 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1068 ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -135.04 26.18 3.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1069 ' ' HIS . . . . . . . . . . . . . 1.6 t60 -91.21 130.06 41.3 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.628 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1070 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 2.68 6.34 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.564 1.823 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1071 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.35 -45.49 1.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1072 ' ' GLY . . . . . 0.407 ' O ' ' OG1' ' A' 1076 ' ' THR . . . -60.04 -40.76 97.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1073 ' ' VAL . . . . . 0.432 ' CG2' ' HA ' ' A' 1065 ' ' ALA . 0.3 OUTLIER -72.74 -36.42 52.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 109.335 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -69.02 -36.16 77.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1075 ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' 1076 ' ' THR . 0.4 OUTLIER -67.11 -48.71 78.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1076 ' ' THR . . . . . 0.466 ' N ' ' CG1' ' A' 1075 ' ' VAL . 1.2 p -67.14 -48.28 68.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.75 -37.75 71.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 13.4 t80 -64.89 -50.49 66.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 111.016 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1079 ' ' CYS . . . . . 0.424 ' SG ' ' O ' ' A' 1076 ' ' THR . 2.1 p -59.4 -35.36 73.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 108.324 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 2.5 mttp -62.59 -43.28 99.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -37.41 86.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.15 . . . . 0.0 110.362 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.85 -20.82 48.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 2.4 mt -83.61 -23.82 31.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 88.1 14.92 61.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1085 ' ' THR . . . . . . . . . . . . . 1.8 p -137.19 120.88 17.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.372 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -100.36 -31.14 11.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 9.6 t -40.38 153.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1088 ' ' LEU . . . . . . . . . . . . . 58.9 mt -115.81 -169.15 1.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1089 ' ' GLY . . . . . 0.534 ' O ' ' CG ' ' A' 1108 ' ' ASN . . . 168.25 38.85 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1090 ' ' TYR . . . . . 0.732 ' CE2' ' CB ' ' A' 1063 ' ' ALA . 8.1 t80 -126.39 125.01 41.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1091 ' ' CYS . . . . . 0.67 ' O ' ' HA ' ' A' 1106 ' ' VAL . 17.6 t -96.38 130.96 43.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 108.271 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1092 ' ' THR . . . . . . . . . . . . . 8.7 p -94.23 139.07 31.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -170.77 77.76 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1094 ' ' PHE . . . . . 0.513 ' HA ' ' HA ' ' A' 1104 ' ' CYS . 51.0 p90 -106.86 -167.85 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 178.21 164.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -100.9 132.33 46.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 2.3 t -114.89 125.05 29.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 152.56 40.59 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 49.81 26.66 8.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1100 ' ' CYS . . . . . 0.535 ' HB3' ' CH2' ' A' 1153 ' ' TRP . 33.3 m -141.93 -74.51 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 161.47 -125.57 1.46 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.609 1.193 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 13.0 pt -132.78 135.76 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -129.01 127.58 5.59 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1104 ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' 1094 ' ' PHE . 19.9 p -116.58 140.69 49.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1105 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -121.8 153.41 38.36 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1106 ' ' VAL . . . . . 0.67 ' HA ' ' O ' ' A' 1091 ' ' CYS . 0.9 OUTLIER -141.84 150.38 19.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1107 ' ' SER . . . . . 0.667 ' O ' ' CB ' ' A' 1108 ' ' ASN . 0.9 OUTLIER -150.86 149.84 30.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1108 ' ' ASN . . . . . 0.667 ' CB ' ' O ' ' A' 1107 ' ' SER . 3.6 t-20 141.33 -57.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1109 ' ' VAL . . . . . . . . . . . . . 5.8 m -51.09 -18.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1110 ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' 1108 ' ' ASN . 2.6 pt-20 -62.8 -46.72 86.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -81.13 -36.26 21.8 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.487 1.117 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1112 ' ' ILE . . . . . . . . . . . . . 35.3 mm -63.5 -32.08 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.542 0.789 . . . . 0.0 109.233 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1113 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.67 -38.73 15.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1114 ' ' ALA . . . . . . . . . . . . . . . -93.48 -158.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 65.29 121.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.6 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 22.0 t -156.89 134.16 10.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.955 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 4.9 tt0 56.84 74.89 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -65.9 146.46 99.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 110.234 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.49 42.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.72 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.18 64.29 1.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1122 ' ' ALA . . . . . . . . . . . . . . . -123.78 154.05 67.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 114.74 4.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.443 1.759 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1124 ' ' ALA . . . . . 0.408 ' O ' ' CB ' ' A' 1125 ' ' SER . . . -150.87 -173.8 4.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1125 ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' 1126 ' ' HIS . 0.4 OUTLIER 78.19 -63.47 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.048 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1126 ' ' HIS . . . . . 0.41 ' CB ' ' O ' ' A' 1125 ' ' SER . 0.1 OUTLIER 81.54 -48.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 109.639 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' 1128 ' ' ASN . 0.6 OUTLIER -57.48 -14.75 5.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1128 ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' 1127 ' ' LEU . 10.6 t-20 -35.55 107.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.21 94.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . 56.48 -177.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . -155.13 60.46 0.38 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.569 1.168 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 3.0 m -111.66 79.8 1.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 0.776 . . . . 0.0 110.054 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1133 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.96 139.24 29.95 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.404 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1134 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 172.91 15.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -54.8 156.67 3.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.075 . . . . 0.0 109.253 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -136.57 -51.69 0.69 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 64.57 159.11 0.1 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -160.52 138.23 9.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.357 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1139 ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' 1140 ' ' VAL . . . 63.97 81.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.22 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1140 ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' 1139 ' ' ALA . 0.2 OUTLIER -38.96 136.69 0.95 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.382 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1141 ' ' PRO . . . . . 0.401 ' HD2' HG21 ' A' 1140 ' ' VAL . 18.7 Cg_endo -74.9 161.93 38.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.782 . . . . 0.0 111.079 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1142 ' ' GLN . . . . . 0.426 ' O ' ' CD ' ' A' 1110 ' ' GLU . 2.3 tt0 -112.95 111.95 23.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.223 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1143 ' ' THR . . . . . . . . . . . . . 10.3 t -106.36 136.14 46.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.375 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -104.57 134.46 47.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 59.8 p -119.53 131.5 55.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.993 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1146 ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' 1183 ' ' ALA . 80.5 t -117.67 138.78 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 3.5 mt -107.06 121.53 44.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1148 ' ' ILE . . . . . 0.431 ' HB ' HG23 ' A' 1182 ' ' VAL . 0.2 OUTLIER -119.12 153.34 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.175 . . . . 0.0 109.232 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 159.98 -172.72 36.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 5.2 m120 -69.16 174.08 4.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1151 ' ' ARG . . . . . 0.402 ' CB ' ' HB ' ' A' 1170 ' ' THR . 18.7 ttm-85 -63.12 -29.08 70.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1152 ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.08 -44.81 87.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.351 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1153 ' ' TRP . . . . . 0.535 ' CH2' ' HB3' ' A' 1100 ' ' CYS . 18.6 t-105 -61.89 -45.9 91.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 108.005 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1154 ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.56 -36.78 83.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1155 ' ' ARG . . . . . 0.494 ' NH1' ' N ' ' A' 1163 ' ' SER . 3.4 mmm-85 -58.0 -49.85 75.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -25.92 63.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.35 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -63.53 -43.3 97.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 153.73 55.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.561 1.163 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.423 ' O ' ' NE ' ' A' 1155 ' ' ARG . 0.2 OUTLIER -125.0 133.71 52.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1160 ' ' THR . . . . . . . . . . . . . 2.2 m -69.98 -165.52 0.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1161 ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER 78.8 160.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1162 ' ' SER . . . . . . . . . . . . . 41.0 t -69.78 143.91 52.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1163 ' ' SER . . . . . 0.494 ' N ' ' NH1' ' A' 1155 ' ' ARG . 0.2 OUTLIER -66.53 -34.07 77.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.95 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1164 ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' 1168 ' ' ALA . 24.0 t0 -70.87 -35.19 72.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.393 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 56.0 t -71.84 -49.7 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1166 ' ' SER . . . . . . . . . . . . . 6.4 t -65.29 -46.08 81.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1167 ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' 1163 ' ' SER . 21.1 t70 -63.11 -44.09 96.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1168 ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' 1164 ' ' ASP . . . -62.96 -37.12 85.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 3.9 mtt -66.71 -48.82 68.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1170 ' ' THR . . . . . 0.435 ' CG2' ' N ' ' A' 1171 ' ' ASP . 0.7 OUTLIER -63.22 -47.78 81.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.36 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1171 ' ' ASP . . . . . 0.435 ' N ' ' CG2' ' A' 1170 ' ' THR . 0.1 OUTLIER -63.65 -39.45 94.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -56.15 -47.59 77.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.593 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1173 ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' 1177 ' ' GLN . 1.4 tp10 -59.5 -45.48 91.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.34 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -10.46 17.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.19 10.9 15.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -158.43 -57.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1177 ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' 1173 ' ' GLU . 38.8 mt-30 -126.56 174.14 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1178 ' ' THR . . . . . . . . . . . . . 1.1 p -99.95 119.86 38.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -117.37 127.77 54.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.251 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1180 ' ' ILE . . . . . . . . . . . . . 25.2 pt -131.42 130.39 62.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1181 ' ' LEU . . . . . . . . . . . . . 4.7 mp -105.41 136.6 44.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1182 ' ' VAL . . . . . 0.531 HG11 ' O ' ' A' 1190 ' ' GLY . 0.4 OUTLIER -119.7 130.94 73.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1183 ' ' ALA . . . . . 0.495 ' O ' ' CG1' ' A' 1146 ' ' VAL . . . -122.27 147.66 45.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1184 ' ' ILE . . . . . 0.61 ' O ' HG13 ' A' 1187 ' ' VAL . 0.2 OUTLIER -109.7 126.18 66.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 3.3 t70 56.72 34.85 25.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.76 16.24 77.98 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1187 ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' 1184 ' ' ILE . 0.3 OUTLIER -119.49 155.75 22.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.403 0.708 . . . . 0.0 109.288 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1188 ' ' LEU . . . . . 0.58 ' HB3' ' O ' ' A' 1045 ' ' LEU . 0.9 OUTLIER -60.16 147.96 37.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.252 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1189 ' ' CYS . . . . . 0.618 ' O ' ' N ' ' A' 1046 ' ' GLY . 9.1 t -146.39 -59.98 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.17 . . . . 0.0 108.269 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1190 ' ' GLY . . . . . 0.531 ' O ' HG11 ' A' 1182 ' ' VAL . . . 179.87 157.91 20.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1191 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.74 147.84 46.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.949 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1192 ' ' ILE . . . . . 0.404 HG22 HG23 ' A' 1039 ' ' VAL . 2.3 mt -109.56 134.87 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -115.19 125.83 53.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1194 ' ' ILE . . . . . . . . . . . . . 4.8 mt -110.84 138.81 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1195 ' ' ALA . . . . . 0.689 ' O ' ' OXT' ' A' 1196 ' ' ASP . . . -135.61 102.72 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1196 ' ' ASP . . . . . 0.689 ' OXT' ' O ' ' A' 1195 ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . 112.01 164.14 17.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1034 ' ' HIS . . . . . . . . . . . . . 1.8 t60 -123.42 72.59 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.59 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 3.4 mtt 174.91 123.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1036 ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -125.68 136.95 29.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -176.45 2.89 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.478 1.778 . . . . 0.0 111.018 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1038 ' ' ARG . . . . . 0.507 ' HA ' HD21 ' A' 1071 ' ' LEU . 0.3 OUTLIER -105.02 165.37 11.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.1 . . . . 0.0 110.288 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1039 ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.28 128.02 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1040 ' ' MET . . . . . . . . . . . . . 10.8 tpt -95.7 -42.66 8.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.36 156.42 8.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 1.1 p -122.97 137.48 56.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.0 136.35 41.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.604 1.19 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 2.6 mt -81.5 124.68 29.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1045 ' ' LEU . . . . . 0.584 ' O ' ' CG ' ' A' 1188 ' ' LEU . 13.4 mt -136.89 23.32 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1046 ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -125.78 115.88 2.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.84 138.81 56.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.738 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1048 ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' 1053 ' ' LEU . 2.1 t -116.37 31.7 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -92.33 -15.35 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1050 ' ' THR . . . . . . . . . . . . . 2.1 m -128.14 -36.11 1.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.411 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1051 ' ' LEU . . . . . . . . . . . . . 26.8 mt -107.14 148.62 37.38 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 133.79 16.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.811 . . . . 0.0 110.993 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1053 ' ' LEU . . . . . 0.439 ' HB2' ' CG1' ' A' 1048 ' ' VAL . 0.7 OUTLIER -76.11 -38.24 57.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -63.6 -47.66 80.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -41.54 87.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 1.189 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1056 ' ' VAL . . . . . 0.488 ' O ' HG11 ' A' 1059 ' ' VAL . 3.8 t -60.04 -46.51 94.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.382 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1057 ' ' LEU . . . . . 0.408 ' O ' HG12 ' A' 1060 ' ' VAL . 1.2 mp -65.67 -32.63 74.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1058 ' ' ALA . . . . . 0.412 ' O ' ' OG1' ' A' 1062 ' ' THR . . . -62.87 -48.25 79.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1059 ' ' VAL . . . . . 0.563 HG23 ' CD1' ' A' 1090 ' ' TYR . 8.8 p -70.34 -47.26 67.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1060 ' ' VAL . . . . . 0.42 ' O ' ' HB2' ' A' 1064 ' ' GLU . 0.3 OUTLIER -58.59 -34.06 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1061 ' ' GLY . . . . . 0.448 ' HA2' ' CG2' ' A' 1076 ' ' THR . . . -74.01 -36.44 51.84 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.444 1.09 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1062 ' ' THR . . . . . 0.485 ' HA ' HD12 ' A' 1088 ' ' LEU . 25.8 m -65.29 -35.74 81.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1063 ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' 1067 ' ' SER . . . -84.0 -51.0 7.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1064 ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' 1060 ' ' VAL . 10.9 mt-10 -55.06 -40.86 70.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1065 ' ' ALA . . . . . 0.493 ' O ' ' CG1' ' A' 1073 ' ' VAL . . . -74.96 -23.21 58.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.379 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1066 ' ' SER . . . . . 0.526 ' O ' ' CZ ' ' A' 1094 ' ' PHE . 40.1 t -109.03 24.02 13.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.942 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1067 ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' 1068 ' ' GLU . 3.5 m -56.63 -27.25 57.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1068 ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' 1067 ' ' SER . 0.2 OUTLIER 86.3 -0.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1069 ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -93.06 137.16 23.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.633 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1070 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 55.27 3.85 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.517 1.798 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1071 ' ' LEU . . . . . 0.507 HD21 ' HA ' ' A' 1038 ' ' ARG . 1.4 tt -176.46 -57.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -58.18 -36.75 83.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.429 1.081 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1073 ' ' VAL . . . . . 0.493 ' CG1' ' O ' ' A' 1065 ' ' ALA . 58.0 t -63.85 -42.77 96.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -66.95 -34.18 77.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1075 ' ' VAL . . . . . . . . . . . . . 16.3 t -62.01 -48.31 89.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1076 ' ' THR . . . . . 0.448 ' CG2' ' HA2' ' A' 1061 ' ' GLY . 0.6 OUTLIER -66.36 -43.42 86.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 110.416 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -36.11 75.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 52.3 t80 -66.71 -52.28 46.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -34.07 76.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 108.315 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1080 ' ' LYS . . . . . 0.485 ' CD ' ' O ' ' A' 1085 ' ' THR . 0.1 OUTLIER -62.29 -47.22 85.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.33 -36.46 83.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -21.0 56.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.239 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 9.3 mt -83.52 -24.77 31.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 97.86 20.23 22.04 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1085 ' ' THR . . . . . 0.485 ' O ' ' CD ' ' A' 1080 ' ' LYS . 0.2 OUTLIER -136.78 122.14 19.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 0.799 . . . . 0.0 110.337 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.61 25.78 9.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 110.264 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 92.9 m -139.92 140.75 36.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.423 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1088 ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' 1062 ' ' THR . 0.1 OUTLIER -112.28 -162.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.215 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 173.46 36.02 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.449 1.093 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1090 ' ' TYR . . . . . 0.563 ' CD1' HG23 ' A' 1059 ' ' VAL . 0.2 OUTLIER -123.49 148.93 45.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.994 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1091 ' ' CYS . . . . . 0.647 ' O ' ' HA ' ' A' 1106 ' ' VAL . 2.2 t -95.62 113.64 25.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 108.285 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1092 ' ' THR . . . . . . . . . . . . . 4.7 p -93.2 155.56 17.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -153.63 77.15 1.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1094 ' ' PHE . . . . . 0.526 ' CZ ' ' O ' ' A' 1066 ' ' SER . 13.5 m-85 -73.05 151.8 41.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -162.29 128.88 3.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.157 . . . . 0.0 110.235 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -90.13 126.78 35.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.376 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.2 124.01 31.58 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.96 30.76 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 66.61 14.81 63.19 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1100 ' ' CYS . . . . . . . . . . . . . 11.9 t -135.08 -75.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 162.05 -127.61 1.75 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.462 1.101 . . . . 0.0 111.041 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 23.2 pt -129.35 142.49 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 109.265 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -151.16 140.72 8.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.463 1.102 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1104 ' ' CYS . . . . . 0.51 ' SG ' ' CG1' ' A' 1146 ' ' VAL . 18.9 p -136.63 161.13 36.76 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1105 ' ' LYS . . . . . . . . . . . . . 3.3 mptt -119.1 154.25 33.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1106 ' ' VAL . . . . . 0.647 ' HA ' ' O ' ' A' 1091 ' ' CYS . 0.3 OUTLIER -143.26 124.91 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1107 ' ' SER . . . . . 0.459 ' O ' ' HB2' ' A' 1108 ' ' ASN . 59.1 p -152.05 136.6 16.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1108 ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' A' 1107 ' ' SER . 2.4 t-20 170.47 -40.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1109 ' ' VAL . . . . . . . . . . . . . 6.7 p -51.61 -21.17 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -65.55 -46.17 80.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -80.01 -27.08 54.21 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1112 ' ' ILE . . . . . . . . . . . . . 36.9 mm -70.87 -40.4 76.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.49 0.759 . . . . 0.0 109.351 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1113 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -37.52 36.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.362 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1114 ' ' ALA . . . . . . . . . . . . . . . -115.88 114.71 25.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 2.4 t60 -122.02 88.17 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 109.549 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 78.8 p -63.89 122.76 17.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.043 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 2.6 tt0 178.86 84.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.422 1.076 . . . . 0.0 110.312 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.39 137.02 60.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.407 1.067 . . . . 0.0 110.254 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 132.13 15.03 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.814 . . . . 0.0 110.951 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 74.0 122.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1121 ' ' SER . . . . . 0.412 ' O ' ' CB ' ' A' 1122 ' ' ALA . 31.9 p -173.23 76.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.607 1.192 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1122 ' ' ALA . . . . . 0.462 ' N ' ' CD ' ' A' 1123 ' ' PRO . . . 168.74 -54.6 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1123 ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' 1122 ' ' ALA . 18.2 Cg_endo -75.08 122.78 7.38 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.803 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . 48.64 -175.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1125 ' ' SER . . . . . . . . . . . . . 6.1 m 61.15 78.66 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.022 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1126 ' ' HIS . . . . . . . . . . . . . 33.9 m-70 60.81 57.83 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.569 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.0 tp -58.68 -16.83 18.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1128 ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -49.52 157.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -76.8 156.12 32.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . 58.02 174.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . -156.55 -120.35 0.65 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 27.2 p -129.01 135.62 49.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 0.736 . . . . 0.0 110.055 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1133 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.11 148.83 78.89 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.346 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1134 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 166.46 29.17 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.507 1.793 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -79.11 136.93 37.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.37 -60.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.95 149.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.39 135.38 8.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1139 ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' 1140 ' ' VAL . . . -56.62 98.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1140 ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' 1139 ' ' ALA . 0.2 OUTLIER -39.95 135.64 1.31 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 153.97 42.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.458 1.768 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -85.69 115.86 23.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1143 ' ' THR . . . . . . . . . . . . . 1.9 m -121.47 135.17 55.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.461 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -104.97 142.04 35.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 12.4 t -107.74 130.95 54.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1146 ' ' VAL . . . . . 0.51 ' CG1' ' SG ' ' A' 1104 ' ' CYS . 3.8 t -109.55 138.46 36.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1147 ' ' LEU . . . . . 0.414 HD21 ' CZ2' ' A' 1153 ' ' TRP . 0.2 OUTLIER -128.07 139.1 52.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1148 ' ' ILE . . . . . 0.661 ' N ' ' CZ2' ' A' 1153 ' ' TRP . 0.2 OUTLIER -143.34 142.96 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1149 ' ' GLY . . . . . 0.58 ' CA ' ' CE3' ' A' 1153 ' ' TRP . . . 161.81 -171.27 37.71 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1150 ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' 1153 ' ' TRP . 10.0 m120 -75.61 153.86 37.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 0.768 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1151 ' ' ARG . . . . . 0.481 ' HB2' ' CG2' ' A' 1170 ' ' THR . 51.1 mtt180 -46.36 -34.96 4.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1152 ' ' GLU . . . . . 0.422 ' HB3' ' CA ' ' A' 1167 ' ' ASP . 3.0 pp20? -70.05 -34.56 73.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.356 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1153 ' ' TRP . . . . . 0.661 ' CZ2' ' N ' ' A' 1148 ' ' ILE . 0.0 OUTLIER -62.52 -52.78 62.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 108.037 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1154 ' ' LEU . . . . . 0.657 ' CD2' ' CH2' ' A' 1153 ' ' TRP . 0.2 OUTLIER -64.36 -41.49 96.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1155 ' ' ARG . . . . . 0.424 ' HA ' ' CB ' ' A' 1159 ' ' LEU . 2.2 mpt_? -57.48 -46.43 83.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -69.48 -25.85 64.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 20.3 t30 -65.37 -59.13 4.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.352 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . -175.42 58.21 0.11 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.133 . . . . 0.0 110.969 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.424 ' CB ' ' HA ' ' A' 1155 ' ' ARG . 0.1 OUTLIER -144.25 141.8 30.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.297 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1160 ' ' THR . . . . . 0.406 ' O ' ' O ' ' A' 1159 ' ' LEU . 2.8 m -55.57 -164.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.384 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1161 ' ' ILE . . . . . . . . . . . . . 1.3 mp 63.5 152.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1162 ' ' SER . . . . . . . . . . . . . 40.3 t -76.28 142.25 41.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.411 1.07 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1163 ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.5 OUTLIER -67.58 -34.1 76.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 25.5 t0 -71.43 -40.07 70.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 32.3 t -64.02 -50.98 74.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1166 ' ' SER . . . . . 0.465 ' O ' ' CG2' ' A' 1170 ' ' THR . 3.5 t -69.37 -33.08 72.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.005 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1167 ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' 1163 ' ' SER . 0.1 OUTLIER -66.88 -42.71 85.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.25 96.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -48.76 75.74 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.149 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1170 ' ' THR . . . . . 0.481 ' CG2' ' HB2' ' A' 1151 ' ' ARG . 72.0 p -63.74 -50.69 68.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.365 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1171 ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.3 OUTLIER -57.34 -37.73 73.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 2.4 m170 -59.44 -47.65 84.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.603 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1173 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.32 -36.34 79.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 2.3 ttt -62.92 -10.74 14.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 2.5 mttp -87.12 10.09 17.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -155.4 -56.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1177 ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -127.21 169.72 13.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1178 ' ' THR . . . . . . . . . . . . . 2.0 m -103.34 128.01 50.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 110.45 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -131.58 128.57 39.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1180 ' ' ILE . . . . . 0.432 ' CD1' ' HB ' ' A' 1192 ' ' ILE . 8.6 pt -132.56 133.57 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1181 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -101.77 136.34 41.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1182 ' ' VAL . . . . . 0.468 ' CG1' ' CG2' ' A' 1148 ' ' ILE . 1.6 t -122.11 120.92 62.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1183 ' ' ALA . . . . . . . . . . . . . . . -118.61 149.55 41.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1184 ' ' ILE . . . . . 0.43 ' O ' HG23 ' A' 1187 ' ' VAL . 81.6 mt -109.29 112.82 42.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 32.0 t70 54.6 41.49 31.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 71.67 14.8 75.38 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1187 ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' 1184 ' ' ILE . 2.6 t -114.46 154.18 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 109.272 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1188 ' ' LEU . . . . . 0.584 ' CG ' ' O ' ' A' 1045 ' ' LEU . 0.6 OUTLIER -59.49 142.91 51.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1189 ' ' CYS . . . . . 0.574 ' O ' ' N ' ' A' 1046 ' ' GLY . 1.7 t -144.35 -56.06 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 108.326 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1190 ' ' GLY . . . . . 0.427 ' HA2' ' CB ' ' A' 1045 ' ' LEU . . . 162.72 157.44 9.05 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.454 1.096 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1191 ' ' MET . . . . . 0.447 ' HB3' ' CD1' ' A' 1045 ' ' LEU . 22.3 ptm -119.71 149.13 42.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 110.978 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1192 ' ' ILE . . . . . 0.432 ' HB ' ' CD1' ' A' 1180 ' ' ILE . 1.1 mp -108.1 130.38 60.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -115.39 123.16 47.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1194 ' ' ILE . . . . . 0.428 ' CG2' ' O ' ' A' 1038 ' ' ARG . 4.6 mt -110.62 133.0 57.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.456 1.098 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1195 ' ' ALA . . . . . 0.612 ' O ' ' OXT' ' A' 1196 ' ' ASP . . . -140.0 109.54 6.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1196 ' ' ASP . . . . . 0.612 ' OXT' ' O ' ' A' 1195 ' ' ALA . 20.0 t70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . 176.12 106.51 0.2 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 111.049 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1034 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 53.73 98.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.796 . . . . 0.0 109.579 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 174.8 104.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1036 ' ' VAL . . . . . . . . . . . . . 31.6 m -94.56 123.96 56.63 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1037 ' ' PRO . . . . . 0.51 ' O ' ' CD2' ' A' 1071 ' ' LEU . 18.3 Cg_endo -74.96 -171.89 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.434 1.755 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1038 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.38 164.1 15.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.08 . . . . 0.0 110.277 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1039 ' ' VAL . . . . . . . . . . . . . 5.2 p -66.29 134.9 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1040 ' ' MET . . . . . . . . . . . . . 1.4 tmt? -105.85 -42.48 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -167.99 156.6 9.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.347 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 2.6 t -117.04 137.66 50.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.06 140.84 36.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 1.9 tp -78.76 126.09 30.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1045 ' ' LEU . . . . . 0.539 ' O ' ' CB ' ' A' 1188 ' ' LEU . 0.6 OUTLIER -137.56 23.79 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1046 ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -141.79 122.52 2.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 4.0 t0 -105.25 173.79 6.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 0.769 . . . . 0.0 109.375 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1048 ' ' VAL . . . . . 0.418 ' HA ' ' O ' ' A' 1051 ' ' LEU . 2.4 t -96.06 30.85 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -93.81 -15.34 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 109.281 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1050 ' ' THR . . . . . . . . . . . . . 27.5 m -131.5 -37.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1051 ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' 1048 ' ' VAL . 17.5 mt -155.42 155.08 29.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 134.56 17.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.024 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 5.9 tp -72.56 -25.82 61.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 5.6 mmt-85 -65.35 -50.56 65.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -69.69 -36.97 76.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1056 ' ' VAL . . . . . 0.457 ' CG1' ' SG ' ' A' 1189 ' ' CYS . 2.4 t -63.1 -43.81 99.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.9 -35.81 82.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.445 1.09 . . . . 0.0 109.242 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -62.04 -45.59 92.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 0.0 109.355 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1059 ' ' VAL . . . . . 0.546 ' CG2' ' CG1' ' A' 1106 ' ' VAL . 0.4 OUTLIER -69.53 -48.5 65.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1060 ' ' VAL . . . . . 0.517 ' O ' ' CG ' ' A' 1064 ' ' GLU . 0.4 OUTLIER -57.77 -35.6 51.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1061 ' ' GLY . . . . . . . . . . . . . . . -73.41 -33.51 58.6 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1062 ' ' THR . . . . . 0.624 ' OG1' ' CD1' ' A' 1090 ' ' TYR . 0.5 OUTLIER -64.68 -41.08 96.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.586 0.815 . . . . 0.0 110.419 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1063 ' ' ALA . . . . . 0.468 ' O ' ' N ' ' A' 1067 ' ' SER . . . -84.25 -38.7 20.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1064 ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' 1060 ' ' VAL . 5.5 mm-40 -54.74 -37.74 66.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1065 ' ' ALA . . . . . 0.515 ' N ' HG21 ' A' 1076 ' ' THR . . . -71.61 -23.9 61.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1066 ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' 1067 ' ' SER . 1.1 t -101.37 -1.68 32.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1067 ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' 1063 ' ' ALA . 9.0 p -35.06 118.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1068 ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' 1067 ' ' SER . 0.6 OUTLIER -35.37 -34.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1069 ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' 1067 ' ' SER . 0.9 OUTLIER -84.01 139.38 39.78 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.568 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1070 ' ' PRO . . . . . 0.451 ' HD2' ' CD2' ' A' 1069 ' ' HIS . 18.3 Cg_endo -75.03 -0.05 9.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.399 1.737 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1071 ' ' LEU . . . . . 0.51 ' CD2' ' O ' ' A' 1037 ' ' PRO . 1.9 mp -90.31 -56.29 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.376 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -59.11 -28.69 64.33 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1073 ' ' VAL . . . . . 0.456 ' N ' ' OG ' ' A' 1067 ' ' SER . 11.0 t -63.07 -51.33 73.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 0.764 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.0 72.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1075 ' ' VAL . . . . . . . . . . . . . 48.9 t -59.05 -52.09 64.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1076 ' ' THR . . . . . 0.515 HG21 ' N ' ' A' 1065 ' ' ALA . 0.4 OUTLIER -66.15 -40.11 90.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.423 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 4.8 tttp -57.47 -41.95 81.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -66.57 -45.75 78.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -63.42 -34.66 78.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 108.351 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 2.5 pttt -66.98 -38.72 86.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 109.248 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.25 -43.67 97.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -78.53 -20.53 50.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.172 . . . . 0.0 110.294 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 6.2 mt -83.17 -23.3 32.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.385 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 76.01 35.74 43.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1085 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.74 122.14 19.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 0.74 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -103.51 24.05 11.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 1.3 t -49.82 139.06 13.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.389 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1088 ' ' LEU . . . . . . . . . . . . . 6.7 tp -176.37 115.8 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 155.66 37.96 0.02 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1090 ' ' TYR . . . . . 0.624 ' CD1' ' OG1' ' A' 1062 ' ' THR . 11.6 m-85 -101.61 159.59 15.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1091 ' ' CYS . . . . . 0.633 ' O ' ' HA ' ' A' 1106 ' ' VAL . 0.5 OUTLIER -99.21 112.26 24.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 108.265 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1092 ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' 1105 ' ' LYS . 44.5 p -94.47 160.37 14.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 1.7 t70 -156.36 75.31 0.86 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1094 ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -72.64 143.83 48.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -159.17 132.66 7.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.34 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -89.67 124.15 34.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.08 124.15 31.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 143.72 29.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.509 1.794 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 74.98 7.23 81.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1100 ' ' CYS . . . . . 0.534 ' HB3' ' CZ2' ' A' 1153 ' ' TRP . 87.6 m -132.24 -75.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 157.28 -123.91 1.35 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.556 1.16 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1102 ' ' ILE . . . . . 0.44 ' CG1' ' O ' ' A' 1148 ' ' ILE . 15.7 pt -115.08 136.88 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -138.74 120.16 1.89 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.556 1.16 . . . . 0.0 110.973 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1104 ' ' CYS . . . . . . . . . . . . . 7.5 p -127.9 140.87 51.75 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1105 ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' 1092 ' ' THR . 2.0 mttt -106.34 152.79 23.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1106 ' ' VAL . . . . . 0.633 ' HA ' ' O ' ' A' 1091 ' ' CYS . 10.6 t -144.71 136.58 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1107 ' ' SER . . . . . 0.529 ' O ' ' CB ' ' A' 1108 ' ' ASN . 4.1 p -149.27 151.24 33.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.941 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1108 ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' 1107 ' ' SER . 4.8 t30 153.78 -20.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1109 ' ' VAL . . . . . 0.541 ' O ' ' CD2' ' A' 1113 ' ' LEU . 12.2 m -44.47 -31.49 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -53.93 -46.93 71.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -76.24 -30.22 57.32 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1112 ' ' ILE . . . . . . . . . . . . . 42.2 mm -62.67 -49.88 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.757 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1113 ' ' LEU . . . . . 0.541 ' CD2' ' O ' ' A' 1109 ' ' VAL . 0.7 OUTLIER -71.56 -38.14 70.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.181 . . . . 0.0 109.264 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1114 ' ' ALA . . . . . . . . . . . . . . . -87.57 -149.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.378 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -171.74 144.42 1.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.603 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.97 118.0 35.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.039 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -140.77 66.48 1.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.235 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -39.96 149.87 0.27 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.345 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 105.0 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.781 . . . . 0.0 111.046 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1120 ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' 1120 ' ' LEU . 0.3 OUTLIER -166.42 110.83 0.79 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 47.7 t -136.89 -44.23 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.957 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1122 ' ' ALA . . . . . . . . . . . . . . . 61.06 91.26 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 109.366 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 173.14 15.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.762 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . -60.01 -97.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1125 ' ' SER . . . . . . . . . . . . . 31.2 m -77.05 102.16 6.37 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.441 1.088 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1126 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -167.52 58.49 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.563 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 6.1 mt -65.81 -12.02 50.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.071 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1128 ' ' ASN . . . . . . . . . . . . . 51.2 t30 -48.73 148.42 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -109.49 138.56 45.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . 55.77 168.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . -159.12 -97.42 0.12 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.482 1.114 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 3.5 m -133.79 123.4 24.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.996 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1133 ' ' LEU . . . . . . . . . . . . . 10.4 mp -72.75 148.6 89.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1134 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 175.56 11.09 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.426 1.75 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -71.34 98.57 1.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -45.13 -41.38 7.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 2.5 mttt -42.19 128.55 3.7 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 8.2 p30 -118.76 116.81 27.33 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.552 1.157 . . . . 0.0 109.238 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1139 ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' 1140 ' ' VAL . . . -72.86 82.74 1.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.372 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1140 ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' 1139 ' ' ALA . 0.2 OUTLIER -38.98 134.88 1.03 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.595 1.184 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.97 43.03 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -91.55 142.33 27.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1143 ' ' THR . . . . . . . . . . . . . 53.1 m -117.23 134.51 54.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.403 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -108.57 141.54 40.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1145 ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' 1185 ' ' ASP . 54.1 p -102.01 130.45 48.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.956 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1146 ' ' VAL . . . . . 0.45 HG21 HG13 ' A' 1184 ' ' ILE . 96.4 t -117.92 138.62 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.57 139.39 53.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1148 ' ' ILE . . . . . 0.44 ' O ' ' CG1' ' A' 1102 ' ' ILE . 0.6 OUTLIER -138.87 157.3 29.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 162.11 -166.37 36.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.145 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 12.2 m120 -67.6 146.33 53.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 0.808 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1151 ' ' ARG . . . . . 0.51 HH21 HH12 ' A' 1155 ' ' ARG . 48.9 mtp180 -51.43 -26.8 8.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1152 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.23 -43.04 78.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1153 ' ' TRP . . . . . 0.587 ' CE3' ' O ' ' A' 1153 ' ' TRP . 0.9 OUTLIER -58.79 -52.27 66.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 107.995 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1154 ' ' LEU . . . . . 0.469 ' CB ' HD23 ' A' 1181 ' ' LEU . 3.2 mm? -61.27 -38.27 86.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.407 1.067 . . . . 0.0 109.36 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1155 ' ' ARG . . . . . 0.51 HH12 HH21 ' A' 1151 ' ' ARG . 2.8 mpt_? -57.01 -49.08 76.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.227 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -72.52 -22.02 61.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 62.4 t30 -62.43 -59.23 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . -174.38 56.56 0.13 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.425 ' CB ' ' HA ' ' A' 1155 ' ' ARG . 0.0 OUTLIER -132.79 -160.15 1.02 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 0.763 . . . . 0.0 109.254 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1160 ' ' THR . . . . . . . . . . . . . 2.8 m -110.56 -165.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.417 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1161 ' ' ILE . . . . . . . . . . . . . 19.6 mm 65.04 153.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1162 ' ' SER . . . . . . . . . . . . . 39.9 t -72.47 144.71 47.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 44.2 m -65.54 -36.01 82.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 1.4 t0 -70.5 -39.38 74.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 41.5 t -68.18 -48.63 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1166 ' ' SER . . . . . 0.508 ' O ' ' CG2' ' A' 1170 ' ' THR . 7.1 t -67.33 -34.32 77.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.986 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1167 ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.8 -45.42 89.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -70.19 -34.44 72.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 109.238 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 6.9 mtm -65.82 -48.52 71.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 111.001 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1170 ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' 1166 ' ' SER . 65.0 p -64.52 -52.32 58.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1171 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -44.43 89.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -54.09 -47.77 71.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.628 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1173 ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' 1177 ' ' GLN . 3.6 mm-40 -57.46 -37.21 72.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 2.7 ttp -61.84 -11.1 11.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.48 10.46 17.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -159.45 -56.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1177 ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' 1173 ' ' GLU . 19.2 mp0 -125.8 174.87 8.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 110.219 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1178 ' ' THR . . . . . 0.426 ' HB ' ' CG1' ' A' 1194 ' ' ILE . 1.3 m -124.22 119.89 30.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -132.75 128.35 36.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.597 1.185 . . . . 0.0 109.261 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1180 ' ' ILE . . . . . 0.411 HG13 HG23 ' A' 1192 ' ' ILE . 20.0 pt -130.67 147.37 33.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1181 ' ' LEU . . . . . 0.469 HD23 ' CB ' ' A' 1154 ' ' LEU . 0.5 OUTLIER -101.41 142.08 33.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1182 ' ' VAL . . . . . 0.416 HG23 HG22 ' A' 1148 ' ' ILE . 3.9 t -120.58 121.09 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1183 ' ' ALA . . . . . . . . . . . . . . . -116.85 149.98 39.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1184 ' ' ILE . . . . . 0.45 HG13 HG21 ' A' 1146 ' ' VAL . 1.2 mp -107.63 111.81 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1185 ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' 1145 ' ' SER . 0.7 OUTLIER 52.4 43.99 30.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 71.09 14.93 74.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1187 ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' 1184 ' ' ILE . 0.4 OUTLIER -112.39 153.91 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.236 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1188 ' ' LEU . . . . . 0.539 ' CB ' ' O ' ' A' 1045 ' ' LEU . 0.6 OUTLIER -61.8 144.1 55.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1189 ' ' CYS . . . . . 0.51 ' O ' ' N ' ' A' 1046 ' ' GLY . 1.5 t -144.88 -66.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 108.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1190 ' ' GLY . . . . . 0.506 ' HA2' ' CB ' ' A' 1045 ' ' LEU . . . 170.95 157.88 13.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1191 ' ' MET . . . . . . . . . . . . . 1.2 ppp? -118.58 148.74 42.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1192 ' ' ILE . . . . . 0.411 HG23 HG13 ' A' 1180 ' ' ILE . 3.3 tt -108.34 134.21 50.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -121.12 117.69 27.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1194 ' ' ILE . . . . . 0.426 ' CG1' ' HB ' ' A' 1178 ' ' THR . 3.9 pt -109.82 130.97 62.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1195 ' ' ALA . . . . . 0.571 ' O ' ' OXT' ' A' 1196 ' ' ASP . . . -140.06 110.97 6.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1196 ' ' ASP . . . . . 0.571 ' OXT' ' O ' ' A' 1195 ' ' ALA . 19.3 t70 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . -127.54 -148.43 6.88 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1034 ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' 1034 ' ' HIS . 6.0 p80 -113.08 74.46 0.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 0.748 . . . . 0.0 109.573 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -150.52 124.37 9.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1036 ' ' VAL . . . . . . . . . . . . . 12.6 p -105.05 128.54 26.48 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1037 ' ' PRO . . . . . 0.526 ' HB2' HD12 ' A' 1194 ' ' ILE . 18.3 Cg_endo -74.96 171.25 18.67 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.488 1.783 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1038 ' ' ARG . . . . . 0.679 ' HA ' HD11 ' A' 1071 ' ' LEU . 4.2 mpt_? -135.95 163.13 30.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1039 ' ' VAL . . . . . . . . . . . . . 9.8 p -68.67 137.41 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1040 ' ' MET . . . . . 0.523 ' O ' ' CG ' ' A' 1041 ' ' ARG . 6.9 tpt -100.84 -42.61 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1041 ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' 1040 ' ' MET . 32.5 mtt180 -164.96 157.36 15.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 0.0 110.22 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 2.4 t -129.84 137.13 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.78 138.9 50.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 3.1 tp -79.43 136.69 37.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1045 ' ' LEU . . . . . 0.579 ' O ' ' CG ' ' A' 1188 ' ' LEU . 0.7 OUTLIER -145.17 23.95 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1046 ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -122.85 114.89 2.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.586 1.179 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.97 141.86 48.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1048 ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' 1053 ' ' LEU . 4.9 t -131.04 30.08 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -92.63 -15.56 26.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.376 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1050 ' ' THR . . . . . . . . . . . . . 6.2 m -131.97 -36.46 1.18 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1051 ' ' LEU . . . . . . . . . . . . . 6.1 mp -99.92 146.63 32.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 134.43 17.77 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1053 ' ' LEU . . . . . 0.457 ' HB2' ' CG1' ' A' 1048 ' ' VAL . 7.5 tp -77.18 -35.11 56.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -65.21 -45.3 85.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 110.265 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -50.53 56.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1056 ' ' VAL . . . . . . . . . . . . . 7.9 t -57.8 -41.51 79.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 31.8 tp -64.81 -35.23 80.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.7 92.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 43.1 t -68.69 -47.6 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.376 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1060 ' ' VAL . . . . . 0.413 ' O ' ' HB2' ' A' 1064 ' ' GLU . 0.4 OUTLIER -56.79 -38.79 60.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1061 ' ' GLY . . . . . 0.46 ' HA2' ' CG2' ' A' 1076 ' ' THR . . . -73.82 -33.59 57.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1062 ' ' THR . . . . . 0.578 HG21 ' CG ' ' A' 1090 ' ' TYR . 0.5 OUTLIER -62.75 -40.37 97.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 110.439 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1063 ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' 1067 ' ' SER . . . -84.72 -44.66 13.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1064 ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' 1060 ' ' VAL . 3.0 mm-40 -55.32 -45.49 76.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1065 ' ' ALA . . . . . 0.498 ' O ' ' CG2' ' A' 1073 ' ' VAL . . . -76.48 -22.45 54.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1066 ' ' SER . . . . . . . . . . . . . 8.5 t -108.77 27.4 9.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1067 ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' 1063 ' ' ALA . 0.4 OUTLIER -78.51 -30.15 46.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.026 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1068 ' ' GLU . . . . . . . . . . . . . 3.4 tt0 77.38 21.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.088 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1069 ' ' HIS . . . . . 0.444 ' CG ' ' HD2' ' A' 1070 ' ' PRO . 13.1 t-80 -90.68 142.55 27.96 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.598 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1070 ' ' PRO . . . . . 0.483 ' O ' ' CB ' ' A' 1071 ' ' LEU . 18.3 Cg_endo -75.02 56.13 4.17 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.455 1.766 . . . . 0.0 110.961 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1071 ' ' LEU . . . . . 0.679 HD11 ' HA ' ' A' 1038 ' ' ARG . 0.1 OUTLIER 165.41 -52.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -58.34 -35.73 80.2 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1073 ' ' VAL . . . . . 0.498 ' CG2' ' O ' ' A' 1065 ' ' ALA . 0.3 OUTLIER -64.68 -47.97 86.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1074 ' ' ALA . . . . . 0.481 ' N ' ' CG1' ' A' 1073 ' ' VAL . . . -67.01 -33.81 76.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1075 ' ' VAL . . . . . . . . . . . . . 2.4 t -59.32 -49.32 83.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1076 ' ' THR . . . . . 0.46 ' CG2' ' HA2' ' A' 1061 ' ' GLY . 0.2 OUTLIER -69.01 -42.64 76.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.432 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -57.15 -42.0 80.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -46.13 76.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -61.34 -35.65 78.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 108.342 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 8.9 mttp -66.7 -39.91 88.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.403 1.065 . . . . 0.0 109.333 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.44 -42.55 98.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -78.09 -21.63 50.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.221 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 5.0 mt -83.39 -22.43 32.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 77.84 30.94 50.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1085 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.98 122.12 19.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 110.439 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -102.84 23.37 12.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 60.7 m -50.88 136.76 22.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1088 ' ' LEU . . . . . . . . . . . . . 3.7 tp -177.76 113.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 169.18 37.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1090 ' ' TYR . . . . . 0.578 ' CG ' HG21 ' A' 1062 ' ' THR . 0.2 OUTLIER -101.53 160.33 14.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 0.781 . . . . 0.0 110.984 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1091 ' ' CYS . . . . . 0.67 ' O ' ' HA ' ' A' 1106 ' ' VAL . 8.6 t -96.46 113.15 24.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 108.396 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1092 ' ' THR . . . . . . . . . . . . . 45.1 p -93.93 152.16 19.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.606 1.191 . . . . 0.0 110.374 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.92 75.43 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1094 ' ' PHE . . . . . . . . . . . . . 18.0 p90 -73.64 147.08 44.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -159.58 138.3 10.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 110.301 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -109.26 129.41 55.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.355 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 44.5 t -114.9 124.47 30.34 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 142.71 28.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.798 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 76.06 11.73 84.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1100 ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -138.37 -74.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 165.97 -132.61 2.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1102 ' ' ILE . . . . . 0.429 ' O ' ' O ' ' A' 1148 ' ' ILE . 0.4 OUTLIER -134.78 163.13 37.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -170.58 155.27 24.58 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.433 1.083 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1104 ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' 1105 ' ' LYS . 7.0 t -142.74 153.12 43.02 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1105 ' ' LYS . . . . . 0.437 ' N ' ' SG ' ' A' 1104 ' ' CYS . 0.0 OUTLIER -116.15 154.74 29.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1106 ' ' VAL . . . . . 0.67 ' HA ' ' O ' ' A' 1091 ' ' CYS . 0.0 OUTLIER -143.04 126.79 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1107 ' ' SER . . . . . 0.494 ' CB ' ' OG1' ' A' 1143 ' ' THR . 6.3 p -150.67 136.5 18.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.17 . . . . 0.0 110.012 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1108 ' ' ASN . . . . . 0.544 HD21 ' N ' ' A' 1091 ' ' CYS . 0.6 OUTLIER 165.6 -27.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.062 . . . . 0.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1109 ' ' VAL . . . . . 0.504 ' CG1' ' OH ' ' A' 1090 ' ' TYR . 3.4 p -44.23 -29.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.43 -46.35 76.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1111 ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' 1108 ' ' ASN . . . -66.55 -29.33 74.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1112 ' ' ILE . . . . . . . . . . . . . 33.7 mm -73.31 -38.42 53.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1113 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.19 -39.71 89.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1114 ' ' ALA . . . . . . . . . . . . . . . 63.37 142.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -148.21 64.31 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.576 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 11.2 t -138.75 129.19 25.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -130.34 57.02 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 27.0 ttt85 -158.32 86.53 2.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.249 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 159.88 41.09 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.439 1.758 . . . . 0.0 111.018 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.79 -64.81 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 9.3 m 42.07 91.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.956 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1122 ' ' ALA . . . . . . . . . . . . . . . -176.99 66.23 0.22 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.412 1.07 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 114.82 4.11 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.475 1.776 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . -177.85 170.46 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1125 ' ' SER . . . . . . . . . . . . . 35.2 t -87.51 -60.12 2.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.989 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1126 ' ' HIS . . . . . . . . . . . . . 2.0 m-70 48.07 59.54 4.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.59 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 10.0 tp -63.69 -13.54 43.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1128 ' ' ASN . . . . . . . . . . . . . 46.1 t30 -46.33 158.09 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -98.2 119.85 37.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . -145.33 171.9 13.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . -148.85 -112.91 0.66 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.465 1.103 . . . . 0.0 111.049 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 4.0 m 62.2 137.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 0.0 109.992 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1133 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.29 144.0 30.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1134 ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.02 171.92 17.39 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -99.57 -65.93 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 54.1 104.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.23 158.21 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -126.29 118.92 26.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -136.92 166.45 23.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.224 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1140 ' ' VAL . . . . . 0.47 HG23 ' HD2' ' A' 1141 ' ' PRO . 0.7 OUTLIER -100.95 136.95 19.65 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1141 ' ' PRO . . . . . 0.47 ' HD2' HG23 ' A' 1140 ' ' VAL . 18.8 Cg_endo -74.81 164.36 33.73 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.067 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -71.75 110.41 6.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1143 ' ' THR . . . . . 0.494 ' OG1' ' CB ' ' A' 1107 ' ' SER . 1.9 m -107.28 134.23 50.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.441 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -106.0 140.62 38.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 47.2 p -110.47 128.98 55.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1146 ' ' VAL . . . . . . . . . . . . . 46.0 t -121.27 140.7 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1147 ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' A' 1147 ' ' LEU . 0.3 OUTLIER -127.82 148.26 50.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1148 ' ' ILE . . . . . 0.619 ' HA ' ' CH2' ' A' 1153 ' ' TRP . 0.3 OUTLIER -141.32 156.79 21.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.59 1.181 . . . . 0.0 109.249 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1149 ' ' GLY . . . . . 0.456 ' C ' ' CE3' ' A' 1153 ' ' TRP . . . 160.42 -174.29 37.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1150 ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' 1153 ' ' TRP . 14.9 t-20 -69.65 152.8 44.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1151 ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -45.37 -34.88 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1152 ' ' GLU . . . . . 0.436 ' CB ' ' HB2' ' A' 1167 ' ' ASP . 1.0 OUTLIER -69.67 -35.08 74.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1153 ' ' TRP . . . . . 0.72 ' CH2' HD23 ' A' 1154 ' ' LEU . 0.0 OUTLIER -61.11 -53.38 57.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.0 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1154 ' ' LEU . . . . . 0.72 HD23 ' CH2' ' A' 1153 ' ' TRP . 0.2 OUTLIER -64.75 -41.57 95.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1155 ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.27 -47.9 74.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -25.06 62.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -62.32 -49.72 74.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.353 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 164.87 57.66 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.442 1.089 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1159 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.43 -162.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 0.719 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1160 ' ' THR . . . . . . . . . . . . . 2.6 m -109.29 -178.09 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1161 ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' 1162 ' ' SER . 15.1 mm 64.41 162.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1162 ' ' SER . . . . . 0.457 ' N ' ' CG2' ' A' 1161 ' ' ILE . 38.0 t -75.72 141.68 42.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1163 ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.6 OUTLIER -68.55 -34.25 75.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -38.93 71.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1165 ' ' VAL . . . . . 0.408 ' CG2' ' HB3' ' A' 1162 ' ' SER . 30.8 t -62.55 -51.98 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1166 ' ' SER . . . . . . . . . . . . . 3.5 t -70.87 -33.75 70.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1167 ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' 1163 ' ' SER . 8.0 t0 -63.65 -42.57 98.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -66.98 -42.62 84.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 109.228 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 1.1 tpt -59.93 -51.28 70.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1170 ' ' THR . . . . . 0.456 ' CG2' ' ND2' ' A' 1150 ' ' ASN . 17.3 m -67.0 -40.25 87.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.468 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1171 ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.5 OUTLIER -57.89 -46.78 84.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.249 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.35 -44.23 92.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1173 ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.17 -36.4 70.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.387 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 8.0 ttt -63.48 -10.46 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 1.7 tttt -84.71 8.3 17.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -155.23 -55.01 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.407 1.067 . . . . 0.0 111.055 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1177 ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -126.18 159.24 33.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 0.76 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1178 ' ' THR . . . . . 0.52 ' CG2' ' CG2' ' A' 1194 ' ' ILE . 1.0 OUTLIER -94.82 120.36 34.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -112.61 127.87 56.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1180 ' ' ILE . . . . . . . . . . . . . 4.5 pt -138.44 130.31 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1181 ' ' LEU . . . . . . . . . . . . . 2.7 tt -101.24 140.7 35.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1182 ' ' VAL . . . . . 0.445 ' CG1' HG22 ' A' 1148 ' ' ILE . 3.1 t -119.09 119.7 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1183 ' ' ALA . . . . . . . . . . . . . . . -118.01 149.61 40.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1184 ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' 1187 ' ' VAL . 0.5 OUTLIER -109.89 115.59 50.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 15.8 t0 56.84 39.49 29.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 71.68 15.03 75.49 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1187 ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' 1184 ' ' ILE . 2.1 t -116.68 154.63 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1188 ' ' LEU . . . . . 0.579 ' CG ' ' O ' ' A' 1045 ' ' LEU . 0.7 OUTLIER -59.83 144.84 47.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1189 ' ' CYS . . . . . 0.581 ' O ' ' N ' ' A' 1046 ' ' GLY . 3.1 t -147.25 -57.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 108.277 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1190 ' ' GLY . . . . . 0.415 ' HA2' ' HB2' ' A' 1045 ' ' LEU . . . 179.47 157.01 19.02 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1191 ' ' MET . . . . . . . . . . . . . 33.9 ttp -121.05 143.78 48.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1192 ' ' ILE . . . . . . . . . . . . . 2.0 mm -109.21 135.25 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -125.37 122.35 36.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1194 ' ' ILE . . . . . 0.526 HD12 ' HB2' ' A' 1037 ' ' PRO . 0.5 OUTLIER -117.78 141.2 37.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1195 ' ' ALA . . . . . . . . . . . . . . . -125.37 104.11 8.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 9.2 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.244 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . 175.04 159.03 20.53 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1034 ' ' HIS . . . . . . . . . . . . . 1.3 t60 -129.37 92.59 3.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 0.778 . . . . 0.0 109.59 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.68 123.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1036 ' ' VAL . . . . . . . . . . . . . 31.9 m -90.41 125.48 59.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -171.79 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.588 1.836 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1038 ' ' ARG . . . . . 0.516 ' HA ' HD11 ' A' 1071 ' ' LEU . 0.0 OUTLIER -136.25 163.32 30.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1039 ' ' VAL . . . . . . . . . . . . . 4.4 p -68.18 136.25 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1040 ' ' MET . . . . . 0.421 ' HG3' ' CB ' ' A' 1195 ' ' ALA . 0.0 OUTLIER -93.51 -44.21 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.49 157.05 8.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.239 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.17 138.65 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.77 150.5 39.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.586 ' O ' HD22 ' A' 1045 ' ' LEU . 3.1 tp -78.19 135.29 37.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1045 ' ' LEU . . . . . 0.586 HD22 ' O ' ' A' 1044 ' ' LEU . 1.5 mm? -143.12 24.47 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1046 ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -132.04 118.64 2.33 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.555 1.159 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.04 143.42 30.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.612 0.831 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1048 ' ' VAL . . . . . 0.483 ' CG1' ' O ' ' A' 1048 ' ' VAL . 81.2 t -91.1 26.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -94.01 -5.3 47.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 0.0 109.256 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1050 ' ' THR . . . . . . . . . . . . . 3.3 m -116.56 -35.08 4.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.374 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1051 ' ' LEU . . . . . 0.555 HD21 ' HD2' ' A' 1052 ' ' PRO . 0.1 OUTLIER -161.53 172.46 5.66 Favored Pre-proline 0 C--N 1.327 -0.408 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1052 ' ' PRO . . . . . 0.555 ' HD2' HD21 ' A' 1051 ' ' LEU . 18.3 Cg_endo -75.0 133.21 16.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.779 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 4.1 tp -71.06 -26.87 63.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -63.34 -47.69 81.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1055 ' ' LYS . . . . . 0.452 ' CG ' ' HG2' ' A' 1052 ' ' PRO . 3.4 mmtt -71.28 -36.92 71.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1056 ' ' VAL . . . . . . . . . . . . . 3.3 t -61.93 -46.2 97.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.246 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.05 -35.76 82.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -61.07 -47.21 87.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1059 ' ' VAL . . . . . 0.444 ' O ' HG22 ' A' 1062 ' ' THR . 0.4 OUTLIER -69.89 -41.33 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1060 ' ' VAL . . . . . 0.446 ' O ' ' HB2' ' A' 1064 ' ' GLU . 3.4 t -59.84 -39.35 79.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.225 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1061 ' ' GLY . . . . . 0.472 ' HA2' ' CG2' ' A' 1076 ' ' THR . . . -74.85 -35.8 49.36 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1062 ' ' THR . . . . . 0.583 HG23 ' CG ' ' A' 1090 ' ' TYR . 0.6 OUTLIER -62.73 -39.24 93.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.413 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1063 ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' 1067 ' ' SER . . . -84.35 -46.3 11.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.369 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1064 ' ' GLU . . . . . 0.446 ' HB2' ' O ' ' A' 1060 ' ' VAL . 51.9 mm-40 -54.91 -44.74 74.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1065 ' ' ALA . . . . . 0.607 ' O ' HG21 ' A' 1073 ' ' VAL . . . -75.88 -22.31 56.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1066 ' ' SER . . . . . . . . . . . . . 21.0 t -114.23 33.19 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.922 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1067 ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' 1063 ' ' ALA . 38.0 m -82.9 -104.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1068 ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' 1067 ' ' SER . 0.1 OUTLIER 164.51 44.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.239 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1069 ' ' HIS . . . . . . . . . . . . . 16.5 t60 -123.89 134.49 25.4 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.552 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1070 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 55.81 4.1 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1071 ' ' LEU . . . . . 0.516 HD11 ' HA ' ' A' 1038 ' ' ARG . 0.1 OUTLIER 172.08 -49.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1072 ' ' GLY . . . . . 0.411 ' N ' ' HG ' ' A' 1071 ' ' LEU . . . -63.15 -47.6 86.88 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.542 1.151 . . . . 0.0 111.058 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1073 ' ' VAL . . . . . 0.607 HG21 ' O ' ' A' 1065 ' ' ALA . 0.4 OUTLIER -60.95 -42.36 92.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -67.37 -35.53 79.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1075 ' ' VAL . . . . . . . . . . . . . 2.4 t -61.64 -43.01 96.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1076 ' ' THR . . . . . 0.472 ' CG2' ' HA2' ' A' 1061 ' ' GLY . 0.2 OUTLIER -67.17 -45.28 77.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.392 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -47.24 80.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -41.1 97.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.95 -36.85 85.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 108.285 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1080 ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' 1085 ' ' THR . 0.0 OUTLIER -64.09 -42.9 96.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -62.93 -39.14 93.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 110.364 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.56 -21.49 48.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.152 . . . . 0.0 110.334 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 4.1 mt -83.48 -23.13 32.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 86.2 25.76 35.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.048 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1085 ' ' THR . . . . . 0.515 ' O ' ' CG ' ' A' 1080 ' ' LYS . 0.2 OUTLIER -136.82 122.42 19.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.544 0.79 . . . . 0.0 110.413 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.23 23.92 13.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 86.9 m -65.95 149.94 49.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.604 1.19 . . . . 0.0 110.388 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1088 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 179.58 118.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 175.28 36.69 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1090 ' ' TYR . . . . . 0.583 ' CG ' HG23 ' A' 1062 ' ' THR . 1.5 m-85 -98.26 160.4 14.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1091 ' ' CYS . . . . . 0.589 ' O ' ' HA ' ' A' 1106 ' ' VAL . 1.6 t -97.7 113.26 24.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.097 . . . . 0.0 108.307 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1092 ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' 1105 ' ' LYS . 16.9 p -94.72 162.03 13.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.422 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -158.21 76.36 0.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 1.176 . . . . 0.0 109.323 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1094 ' ' PHE . . . . . 0.471 ' HA ' ' CB ' ' A' 1104 ' ' CYS . 6.5 p90 -74.39 168.12 20.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 179.28 125.47 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -95.45 123.2 38.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 44.5 t -109.83 123.86 35.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 135.65 19.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.515 1.797 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 77.54 16.17 80.57 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.41 1.068 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1100 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -137.82 -71.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 158.77 -139.13 6.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 47.6 pt -122.15 138.66 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -141.89 153.15 24.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1104 ' ' CYS . . . . . 0.471 ' CB ' ' HA ' ' A' 1094 ' ' PHE . 31.0 p -156.72 156.1 32.79 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1105 ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' 1092 ' ' THR . 16.6 mttt -123.47 151.93 42.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1106 ' ' VAL . . . . . 0.589 ' HA ' ' O ' ' A' 1091 ' ' CYS . 15.0 p -145.59 127.49 8.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1107 ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' 1108 ' ' ASN . 37.2 t -151.06 136.13 17.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1108 ' ' ASN . . . . . 0.52 ' CB ' ' O ' ' A' 1107 ' ' SER . 0.9 OUTLIER 154.75 41.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1109 ' ' VAL . . . . . 0.481 ' CG1' ' OH ' ' A' 1090 ' ' TYR . 0.6 OUTLIER -83.91 -30.98 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -44.44 95.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.235 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -79.99 -44.09 9.33 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.435 1.084 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1112 ' ' ILE . . . . . 0.559 HG13 ' CD1' ' A' 1090 ' ' TYR . 9.3 mm -57.64 -36.1 53.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1113 ' ' LEU . . . . . 0.435 ' CD1' ' C ' ' A' 1113 ' ' LEU . 0.4 OUTLIER -82.3 -38.4 24.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1114 ' ' ALA . . . . . . . . . . . . . . . -97.02 80.8 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 22.4 p-80 -56.74 173.81 0.18 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.569 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 1.3 t -54.8 120.46 6.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -173.12 75.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -135.34 120.22 13.61 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.225 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.05 42.86 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.47 1.773 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.19 -78.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 17.0 t -158.27 -95.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 110.034 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1122 ' ' ALA . . . . . . . . . . . . . . . -158.29 149.13 16.16 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 114.7 4.08 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . -173.88 179.86 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1125 ' ' SER . . . . . . . . . . . . . 96.0 p -98.83 88.5 4.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1126 ' ' HIS . . . . . . . . . . . . . 5.3 t60 45.46 57.87 4.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 109.628 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.96 -13.09 56.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.361 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1128 ' ' ASN . . . . . . . . . . . . . 54.6 t30 -48.69 121.64 4.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 1.4 mp0 59.45 107.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . -168.36 63.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . 125.44 -65.19 0.56 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.73 162.11 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.993 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1133 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.89 149.85 67.88 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1134 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -177.65 3.62 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -154.76 158.14 39.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -150.17 -61.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.42 1.075 . . . . 0.0 110.322 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 16.1 mttt 68.07 135.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.24 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.29 124.36 32.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1139 ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' 1140 ' ' VAL . . . -81.89 119.94 24.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1140 ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' 1139 ' ' ALA . 0.2 OUTLIER -36.47 135.94 0.57 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.92 176.65 9.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.53 1.805 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -84.13 127.79 34.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1143 ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' 1107 ' ' SER . 1.2 m -108.39 134.52 51.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -110.04 142.11 41.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 95.0 p -115.95 129.02 56.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.028 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1146 ' ' VAL . . . . . . . . . . . . . 11.8 t -117.96 120.64 65.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -114.88 150.8 35.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1148 ' ' ILE . . . . . 0.575 ' HA ' ' CH2' ' A' 1153 ' ' TRP . 0.1 OUTLIER -141.69 154.79 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1149 ' ' GLY . . . . . 0.5 ' CA ' ' CE3' ' A' 1153 ' ' TRP . . . 164.68 -174.86 40.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1150 ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' 1153 ' ' TRP . 5.7 m120 -73.64 159.6 32.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1151 ' ' ARG . . . . . 0.422 HH21 ' HG3' ' A' 1173 ' ' GLU . 49.1 mtt-85 -47.07 -35.21 6.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.235 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1152 ' ' GLU . . . . . 0.463 ' OE2' ' CZ ' ' A' 1156 ' ' ARG . 1.8 tt0 -70.29 -36.08 74.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1153 ' ' TRP . . . . . 0.726 ' CH2' HD12 ' A' 1154 ' ' LEU . 0.0 OUTLIER -58.75 -54.41 47.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.015 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1154 ' ' LEU . . . . . 0.726 HD12 ' CH2' ' A' 1153 ' ' TRP . 1.1 tp -60.07 -39.19 85.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1155 ' ' ARG . . . . . 0.47 ' NE ' ' O ' ' A' 1161 ' ' ILE . 16.6 tpt85 -56.8 -50.61 71.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.592 1.183 . . . . 0.0 110.357 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1156 ' ' ARG . . . . . 0.463 ' CZ ' ' OE2' ' A' 1152 ' ' GLU . 5.6 mtm-85 -66.95 -25.51 66.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 6.6 t30 -68.83 -39.2 80.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 147.53 61.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.4 ' CB ' ' HA ' ' A' 1155 ' ' ARG . 0.2 OUTLIER -120.27 -165.2 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 0.726 . . . . 0.0 109.28 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1160 ' ' THR . . . . . 0.425 ' O ' ' HD3' ' A' 1155 ' ' ARG . 2.5 m -114.12 -167.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.347 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1161 ' ' ILE . . . . . 0.47 ' O ' ' NE ' ' A' 1155 ' ' ARG . 1.0 OUTLIER 67.51 159.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.346 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1162 ' ' SER . . . . . 0.426 ' N ' ' CG2' ' A' 1161 ' ' ILE . 35.2 t -69.08 144.31 53.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.941 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1163 ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.2 OUTLIER -66.24 -35.79 81.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.77 -39.77 69.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1165 ' ' VAL . . . . . 0.417 ' CG2' ' HB3' ' A' 1162 ' ' SER . 54.5 t -65.72 -49.35 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1166 ' ' SER . . . . . . . . . . . . . 4.8 t -69.03 -37.02 78.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.179 . . . . 0.0 109.945 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1167 ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' 1163 ' ' SER . 11.8 t0 -66.04 -39.58 90.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -69.99 -40.5 75.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -49.3 73.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1170 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -43.95 97.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1171 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.64 -40.84 96.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.609 1.193 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.64 -48.11 72.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.619 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1173 ' ' GLU . . . . . 0.429 ' O ' ' O ' ' A' 1177 ' ' GLN . 19.5 mm-40 -57.39 -46.62 83.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 1.3 ttm -64.09 -9.33 15.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.84 10.17 16.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -158.47 -57.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1177 ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' 1173 ' ' GLU . 57.5 mt-30 -125.94 174.73 8.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 110.25 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1178 ' ' THR . . . . . . . . . . . . . 3.6 m -96.27 119.3 34.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.362 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -114.26 127.6 55.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1180 ' ' ILE . . . . . . . . . . . . . 10.2 pt -144.12 130.69 16.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1181 ' ' LEU . . . . . 0.407 ' O ' ' CZ3' ' A' 1153 ' ' TRP . 0.0 OUTLIER -108.26 143.66 36.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1182 ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' 1190 ' ' GLY . 1.5 m -119.65 123.12 70.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1183 ' ' ALA . . . . . 0.428 ' HB3' HD12 ' A' 1154 ' ' LEU . . . -116.65 150.33 38.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1184 ' ' ILE . . . . . 0.486 ' O ' HG23 ' A' 1187 ' ' VAL . 1.4 tt -109.12 113.69 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 27.6 t0 56.52 39.8 29.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 0.0 109.239 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.71 15.61 77.88 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1187 ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' 1184 ' ' ILE . 2.1 t -116.55 154.82 18.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1188 ' ' LEU . . . . . 0.569 ' CB ' ' O ' ' A' 1045 ' ' LEU . 0.4 OUTLIER -59.38 143.69 48.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1189 ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' 1046 ' ' GLY . 1.7 t -144.54 -67.31 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 108.369 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1190 ' ' GLY . . . . . 0.449 ' O ' HG21 ' A' 1182 ' ' VAL . . . -169.57 160.6 33.82 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.426 1.079 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1191 ' ' MET . . . . . . . . . . . . . 5.7 ptm -124.39 140.87 52.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 0.742 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1192 ' ' ILE . . . . . . . . . . . . . 37.1 mt -109.42 134.98 49.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -122.67 118.98 29.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1194 ' ' ILE . . . . . . . . . . . . . 3.0 mt -106.53 140.25 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1195 ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' 1196 ' ' ASP . . . -141.03 103.21 4.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.606 1.191 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1196 ' ' ASP . . . . . 0.96 ' OXT' ' OD1' ' A' 1196 ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1033 ' ' GLY . . . . . 0.457 ' O ' ' CG ' ' A' 1034 ' ' HIS . . . 151.86 135.34 2.25 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.459 1.099 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1034 ' ' HIS . . . . . 0.457 ' CG ' ' O ' ' A' 1033 ' ' GLY . 17.2 m80 -164.3 78.29 0.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 0.783 . . . . 0.0 109.547 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 1.4 mtm -156.08 126.94 6.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1036 ' ' VAL . . . . . . . . . . . . . 3.8 t -110.43 131.83 21.84 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.23 18.73 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.781 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1038 ' ' ARG . . . . . 0.418 ' HA ' ' HE2' ' A' 1069 ' ' HIS . 0.5 OUTLIER -135.33 162.94 31.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1039 ' ' VAL . . . . . 0.49 ' HA ' HD12 ' A' 1194 ' ' ILE . 1.0 OUTLIER -69.73 131.63 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.234 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1040 ' ' MET . . . . . . . . . . . . . 1.1 ttt -100.75 -43.55 6.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 2.0 ptt85 -169.37 156.72 7.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.327 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 1.7 p -120.06 139.26 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.51 150.62 40.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 18.1 tp -76.51 140.06 41.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1045 ' ' LEU . . . . . 0.552 ' O ' ' CB ' ' A' 1188 ' ' LEU . 1.5 tp -144.45 23.32 1.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1046 ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -85.21 -145.97 8.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.148 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 8.1 t0 -179.54 174.38 0.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 0.787 . . . . 0.0 109.263 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1048 ' ' VAL . . . . . . . . . . . . . 3.0 t -87.71 45.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1049 ' ' ALA . . . . . 0.532 ' O ' ' CB ' ' A' 1050 ' ' THR . . . -79.4 6.35 10.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1050 ' ' THR . . . . . 0.532 ' CB ' ' O ' ' A' 1049 ' ' ALA . 2.5 m 84.53 6.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.455 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1051 ' ' LEU . . . . . . . . . . . . . 2.5 pp -80.9 138.53 49.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1052 ' ' PRO . . . . . 0.421 ' HG2' ' CB ' ' A' 1055 ' ' LYS . 18.2 Cg_endo -74.98 132.16 15.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.06 -40.37 62.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 109.36 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -62.27 -40.91 97.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1055 ' ' LYS . . . . . 0.421 ' CB ' ' HG2' ' A' 1052 ' ' PRO . 0.0 OUTLIER -66.62 -50.14 63.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1056 ' ' VAL . . . . . 0.417 ' O ' HG22 ' A' 1060 ' ' VAL . 0.4 OUTLIER -58.24 -40.16 76.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.08 -35.27 80.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -71.42 -33.7 69.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1059 ' ' VAL . . . . . 0.671 ' O ' HG23 ' A' 1062 ' ' THR . 15.0 t -70.79 -50.8 41.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1060 ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' 1056 ' ' VAL . 40.5 t -69.91 -34.27 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1061 ' ' GLY . . . . . 0.416 ' O ' HG22 ' A' 1076 ' ' THR . . . -69.0 -48.74 45.82 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1062 ' ' THR . . . . . 0.671 HG23 ' O ' ' A' 1059 ' ' VAL . 15.0 t -60.47 -36.47 78.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 0.796 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1063 ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' 1067 ' ' SER . . . -73.04 -52.88 12.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.369 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1064 ' ' GLU . . . . . 0.449 ' CB ' HG22 ' A' 1076 ' ' THR . 7.1 mt-10 -54.34 -45.92 72.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1065 ' ' ALA . . . . . 0.48 ' HB3' ' HB ' ' A' 1076 ' ' THR . . . -62.61 -22.89 66.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.41 1.069 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1066 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.95 34.29 5.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.936 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1067 ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' 1063 ' ' ALA . 41.9 t -89.24 -147.98 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 110.028 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1068 ' ' GLU . . . . . 0.417 ' N ' ' OG ' ' A' 1067 ' ' SER . 0.7 OUTLIER -120.43 -4.07 9.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1069 ' ' HIS . . . . . 0.418 ' HE2' ' HA ' ' A' 1038 ' ' ARG . 3.1 t60 -82.43 133.88 49.31 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.58 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1070 ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -27.0 10.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 110.947 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1071 ' ' LEU . . . . . 0.453 ' CD1' HG21 ' A' 1039 ' ' VAL . 1.0 OUTLIER -98.71 -27.61 13.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -65.99 -49.86 55.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1073 ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' 1064 ' ' GLU . 33.8 t -62.7 -37.13 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.71 79.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1075 ' ' VAL . . . . . . . . . . . . . 3.2 t -62.49 -42.02 94.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1076 ' ' THR . . . . . 0.48 ' HB ' ' HB3' ' A' 1065 ' ' ALA . 0.2 OUTLIER -70.06 -44.66 68.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.468 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -48.1 81.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.232 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 84.2 t80 -61.93 -52.07 65.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1079 ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' 1083 ' ' LEU . 1.0 OUTLIER -58.97 -32.49 69.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.403 1.064 . . . . 0.0 108.321 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1080 ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' 1085 ' ' THR . 0.0 OUTLIER -61.38 -46.5 89.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -63.2 -39.03 93.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -20.87 48.59 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.459 1.1 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1083 ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' 1079 ' ' CYS . 5.7 mt -84.49 -23.41 29.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 76.49 25.49 65.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.549 1.155 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1085 ' ' THR . . . . . 0.504 ' O ' ' CG ' ' A' 1080 ' ' LYS . 2.2 p -135.95 120.19 17.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1086 ' ' GLU . . . . . 0.441 ' O ' ' O ' ' A' 1087 ' ' THR . 2.9 pm0 -44.59 -35.06 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.272 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' 1086 ' ' GLU . 0.6 OUTLIER 47.55 -178.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1088 ' ' LEU . . . . . 0.49 ' O ' ' CD1' ' A' 1088 ' ' LEU . 0.5 OUTLIER 68.27 -0.04 2.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1089 ' ' GLY . . . . . 0.423 ' O ' ' OD1' ' A' 1108 ' ' ASN . . . -68.96 -14.3 67.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1090 ' ' TYR . . . . . 0.511 ' OH ' ' CG2' ' A' 1109 ' ' VAL . 2.8 m-85 -81.22 160.0 24.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.433 0.726 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1091 ' ' CYS . . . . . 0.699 ' O ' ' HA ' ' A' 1106 ' ' VAL . 5.6 t -93.59 135.39 34.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1092 ' ' THR . . . . . . . . . . . . . 54.9 p -118.2 163.33 16.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -165.1 81.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1094 ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' 1094 ' ' PHE . 0.1 OUTLIER -74.24 171.91 12.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 2.3 tt0 175.8 151.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -110.85 133.43 53.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 14.3 t -112.7 127.22 27.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 142.06 27.6 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 65.74 27.34 72.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 110.971 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1100 ' ' CYS . . . . . 0.505 ' HB3' ' CH2' ' A' 1153 ' ' TRP . 7.4 m -148.67 -67.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 155.76 -124.65 1.52 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -130.2 160.64 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 0.0 109.272 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -161.2 168.72 36.57 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1104 ' ' CYS . . . . . 0.454 ' CB ' ' HA ' ' A' 1094 ' ' PHE . 28.4 p -161.64 159.61 27.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1105 ' ' LYS . . . . . 0.462 ' HE3' HG22 ' A' 1143 ' ' THR . 20.2 ttpt -129.25 154.74 46.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1106 ' ' VAL . . . . . 0.699 ' HA ' ' O ' ' A' 1091 ' ' CYS . 4.0 p -140.61 141.68 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 109.262 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1107 ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' 1091 ' ' CYS . 79.9 p -151.69 138.46 18.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1108 ' ' ASN . . . . . 0.489 ' CB ' ' HA ' ' A' 1090 ' ' TYR . 0.4 OUTLIER 162.72 -38.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1109 ' ' VAL . . . . . 0.522 ' O ' ' CD2' ' A' 1113 ' ' LEU . 5.8 p -48.95 -24.43 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1110 ' ' GLU . . . . . 0.449 ' CD ' ' N ' ' A' 1111 ' ' GLY . 3.1 pp20? -65.48 -44.73 86.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1111 ' ' GLY . . . . . 0.449 ' N ' ' CD ' ' A' 1110 ' ' GLU . . . -75.48 -25.53 67.74 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1112 ' ' ILE . . . . . . . . . . . . . 32.8 mm -66.27 -49.1 78.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 0.737 . . . . 0.0 109.288 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1113 ' ' LEU . . . . . 0.522 ' CD2' ' O ' ' A' 1109 ' ' VAL . 1.0 OUTLIER -73.2 -36.95 66.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1114 ' ' ALA . . . . . . . . . . . . . . . 67.96 -92.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 8.8 t-80 79.21 109.5 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 2.1 m 73.9 176.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.949 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 5.8 tt0 64.49 57.1 1.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.262 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.8 147.72 67.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 82.06 2.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.555 1.818 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -169.09 -42.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 52.4 p -58.95 134.54 57.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1122 ' ' ALA . . . . . . . . . . . . . . . 177.59 90.88 0.13 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 119.63 5.72 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.516 1.798 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . 58.68 164.43 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1125 ' ' SER . . . . . . . . . . . . . 49.5 m -134.67 -74.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 1.169 . . . . 0.0 110.061 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1126 ' ' HIS . . . . . . . . . . . . . 19.8 m80 -112.5 -31.69 6.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.587 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.78 -14.79 35.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1128 ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -39.96 129.69 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.216 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -121.31 -55.91 1.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.347 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . 179.02 132.61 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . 124.14 116.85 2.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 63.3 p -177.37 158.7 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 110.027 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1133 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.58 154.7 38.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1134 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -43.42 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . 64.85 98.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -59.27 2.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.63 161.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.4 123.71 13.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.2 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -167.17 73.12 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1140 ' ' VAL . . . . . 0.512 HG21 ' HD2' ' A' 1141 ' ' PRO . 1.8 p -57.77 144.55 73.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1141 ' ' PRO . . . . . 0.512 ' HD2' HG21 ' A' 1140 ' ' VAL . 18.4 Cg_endo -74.96 138.08 22.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.541 1.811 . . . . 0.0 111.057 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -86.9 113.14 22.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1143 ' ' THR . . . . . 0.462 HG22 ' HE3' ' A' 1105 ' ' LYS . 1.4 m -121.5 134.11 55.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -107.2 141.44 38.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 41.6 p -119.67 127.79 53.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.024 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1146 ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' 1183 ' ' ALA . 53.2 t -114.15 139.38 40.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 13.4 mt -107.82 142.2 38.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1148 ' ' ILE . . . . . 0.415 HG22 HG22 ' A' 1182 ' ' VAL . 0.5 OUTLIER -129.5 133.63 64.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.418 1.074 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 172.75 177.03 41.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 5.4 m120 -68.53 176.6 2.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.75 . . . . 0.0 109.279 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1151 ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -64.38 -27.28 68.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.367 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1152 ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.35 -43.55 81.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1153 ' ' TRP . . . . . 0.505 ' CH2' ' HB3' ' A' 1100 ' ' CYS . 11.8 t-105 -58.68 -53.81 54.12 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1154 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.32 -40.48 90.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.351 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1155 ' ' ARG . . . . . 0.461 ' HG2' ' CB ' ' A' 1166 ' ' SER . 0.0 OUTLIER -56.29 -50.95 69.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 110.233 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -72.11 -21.1 61.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -63.32 -47.41 82.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 161.09 56.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1159 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.0 -163.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1160 ' ' THR . . . . . . . . . . . . . 2.5 m -106.81 -166.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.384 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1161 ' ' ILE . . . . . . . . . . . . . 3.0 mt 62.86 155.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1162 ' ' SER . . . . . 0.413 ' HB3' ' CG2' ' A' 1165 ' ' VAL . 32.5 t -70.97 144.77 50.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1163 ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' 1167 ' ' ASP . 3.7 m -65.13 -37.04 86.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 6.5 t0 -70.73 -42.79 70.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1165 ' ' VAL . . . . . 0.413 ' CG2' ' HB3' ' A' 1162 ' ' SER . 69.0 t -62.93 -49.6 82.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1166 ' ' SER . . . . . 0.461 ' CB ' ' HG2' ' A' 1155 ' ' ARG . 5.6 t -68.8 -32.52 72.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.034 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1167 ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' 1163 ' ' SER . 2.9 t70 -64.99 -43.91 91.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -66.93 -38.54 86.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 2.4 tpt -65.07 -50.79 64.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1170 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.94 -45.59 92.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 110.428 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1171 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -39.56 92.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -53.95 -45.87 71.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.624 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1173 ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' 1177 ' ' GLN . 1.9 tt0 -60.87 -36.69 79.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 4.5 mtp -64.4 -10.99 28.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 26.7 mttt -89.8 11.49 19.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -156.34 -56.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.427 1.08 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1177 ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' 1173 ' ' GLU . 1.7 mt-30 -125.76 174.46 8.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1178 ' ' THR . . . . . . . . . . . . . 1.1 m -132.0 118.47 19.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -134.28 135.63 42.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1180 ' ' ILE . . . . . 0.486 HG13 HG23 ' A' 1192 ' ' ILE . 13.6 pt -112.56 146.85 16.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.429 1.081 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1181 ' ' LEU . . . . . . . . . . . . . 6.4 mp -99.38 138.56 36.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.625 1.203 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1182 ' ' VAL . . . . . 0.415 HG22 HG22 ' A' 1148 ' ' ILE . 0.9 OUTLIER -118.27 120.39 64.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1183 ' ' ALA . . . . . 0.414 ' O ' HG12 ' A' 1146 ' ' VAL . . . -115.97 150.51 37.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1184 ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' 1187 ' ' VAL . 1.5 tp -109.32 111.27 35.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 6.0 t0 56.29 40.55 29.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.33 15.01 76.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1187 ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' 1184 ' ' ILE . 2.2 t -115.98 154.12 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1188 ' ' LEU . . . . . 0.552 ' CB ' ' O ' ' A' 1045 ' ' LEU . 0.4 OUTLIER -59.94 141.84 54.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1189 ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' 1046 ' ' GLY . 2.1 t -144.71 -64.59 0.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 108.258 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1190 ' ' GLY . . . . . 0.494 ' HA2' ' N ' ' A' 1045 ' ' LEU . . . 177.88 159.02 22.0 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.099 . . . . 0.0 111.068 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1191 ' ' MET . . . . . . . . . . . . . 20.8 ptt? -127.52 148.64 50.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1192 ' ' ILE . . . . . 0.486 HG23 HG13 ' A' 1180 ' ' ILE . 0.6 OUTLIER -107.93 133.97 51.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -106.89 128.43 54.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.091 . . . . 0.0 109.235 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1194 ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' 1039 ' ' VAL . 1.4 mp -111.97 130.2 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.369 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1195 ' ' ALA . . . . . 0.511 ' O ' ' OXT' ' A' 1196 ' ' ASP . . . -139.37 109.94 6.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.234 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1196 ' ' ASP . . . . . 0.511 ' OXT' ' O ' ' A' 1195 ' ' ALA . 3.9 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . 121.29 169.84 13.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.46 1.1 . . . . 0.0 110.953 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1034 ' ' HIS . . . . . . . . . . . . . 1.8 t60 -130.82 110.4 11.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 0.808 . . . . 0.0 109.58 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 2.3 ttt -176.97 129.78 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.162 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1036 ' ' VAL . . . . . . . . . . . . . 34.7 m -125.39 124.28 25.12 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -165.68 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.504 1.791 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1038 ' ' ARG . . . . . . . . . . . . . 13.9 mmt-85 -108.79 164.16 12.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1039 ' ' VAL . . . . . 0.427 ' HA ' ' CG1' ' A' 1194 ' ' ILE . 3.7 p -68.13 136.75 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1040 ' ' MET . . . . . 0.406 ' HG3' ' HB3' ' A' 1195 ' ' ALA . 0.2 OUTLIER -96.06 -42.16 8.38 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -167.92 157.14 9.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 3.0 t -119.72 137.79 52.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.73 138.75 42.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1044 ' ' LEU . . . . . 0.402 ' O ' HD11 ' A' 1045 ' ' LEU . 4.5 mt -80.28 131.7 35.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1045 ' ' LEU . . . . . 0.582 ' O ' HD23 ' A' 1188 ' ' LEU . 0.2 OUTLIER -144.98 25.85 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 109.3 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1046 ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -127.67 117.2 2.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 1.1 t0 -70.47 116.72 11.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.316 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1048 ' ' VAL . . . . . 0.507 HG22 ' HB2' ' A' 1053 ' ' LEU . 14.1 t -93.22 33.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -92.6 -10.05 38.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1050 ' ' THR . . . . . . . . . . . . . 2.0 m -127.77 -36.67 2.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.421 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1051 ' ' LEU . . . . . 0.489 ' O ' ' CG1' ' A' 1048 ' ' VAL . 1.7 mt -113.82 149.49 41.89 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1052 ' ' PRO . . . . . 0.41 ' HG2' ' CB ' ' A' 1055 ' ' LYS . 18.5 Cg_endo -74.93 138.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.461 1.769 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1053 ' ' LEU . . . . . 0.507 ' HB2' HG22 ' A' 1048 ' ' VAL . 10.8 tp -73.85 -40.43 63.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.367 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -59.6 -48.26 82.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 110.364 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1055 ' ' LYS . . . . . 0.41 ' CB ' ' HG2' ' A' 1052 ' ' PRO . 0.0 OUTLIER -64.1 -46.08 85.8 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1056 ' ' VAL . . . . . . . . . . . . . 2.5 t -57.93 -40.5 76.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.93 -35.67 81.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -68.68 -46.57 68.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1059 ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' 1060 ' ' VAL . 0.4 OUTLIER -61.48 -46.14 97.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.384 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1060 ' ' VAL . . . . . 0.412 ' N ' ' CG1' ' A' 1059 ' ' VAL . 79.9 t -67.52 -35.57 73.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1061 ' ' GLY . . . . . 0.525 ' O ' ' CB ' ' A' 1065 ' ' ALA . . . -61.87 -47.1 92.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.553 1.158 . . . . 0.0 111.07 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1062 ' ' THR . . . . . 0.519 ' CG2' ' HB2' ' A' 1090 ' ' TYR . 11.1 m -75.53 -33.28 60.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 110.35 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1063 ' ' ALA . . . . . . . . . . . . . . . -56.81 -54.22 48.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1064 ' ' GLU . . . . . 0.449 ' CB ' ' CG2' ' A' 1076 ' ' THR . 1.8 mt-10 -75.43 -46.17 34.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.357 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1065 ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' 1061 ' ' GLY . . . -55.71 -23.06 26.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1066 ' ' SER . . . . . . . . . . . . . 7.2 t -113.27 28.21 8.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1067 ' ' SER . . . . . 0.52 ' HA ' ' CZ ' ' A' 1094 ' ' PHE . 82.8 p -103.84 159.61 15.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1068 ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -83.5 34.69 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1069 ' ' HIS . . . . . 0.403 ' CD2' ' HD2' ' A' 1070 ' ' PRO . 0.5 OUTLIER -113.8 123.5 32.8 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.591 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1070 ' ' PRO . . . . . 0.403 ' HD2' ' CD2' ' A' 1069 ' ' HIS . 18.5 Cg_endo -74.93 4.11 4.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.517 1.799 . . . . 0.0 111.015 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1071 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.37 -44.91 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1072 ' ' GLY . . . . . 0.413 ' O ' ' OG1' ' A' 1076 ' ' THR . . . -63.69 -39.48 97.56 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1073 ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' 1067 ' ' SER . 92.8 t -66.97 -44.46 88.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.451 0.736 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -66.28 -35.51 80.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1075 ' ' VAL . . . . . . . . . . . . . 2.5 t -60.9 -48.56 88.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1076 ' ' THR . . . . . 0.449 ' CG2' ' CB ' ' A' 1064 ' ' GLU . 0.3 OUTLIER -70.21 -44.18 69.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.37 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -41.68 77.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 2.5 t80 -66.74 -46.18 76.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -58.99 -36.67 75.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 108.234 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -40.95 85.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -40.94 98.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.237 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -78.32 -21.37 49.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.245 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 9.5 mt -83.97 -23.14 31.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 79.38 31.73 40.74 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.561 1.163 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1085 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.96 122.28 19.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 0.792 . . . . 0.0 110.342 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -97.66 13.39 30.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' 1088 ' ' LEU . 25.6 m -53.58 146.25 13.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1088 ' ' LEU . . . . . 0.459 ' CB ' ' O ' ' A' 1087 ' ' THR . 0.3 OUTLIER 166.45 156.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 134.82 36.42 0.22 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1090 ' ' TYR . . . . . 0.519 ' HB2' ' CG2' ' A' 1062 ' ' THR . 2.8 m-85 -93.68 161.67 14.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.74 . . . . 0.0 110.968 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1091 ' ' CYS . . . . . 0.583 ' O ' ' HA ' ' A' 1106 ' ' VAL . 16.5 t -95.31 113.39 25.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 108.287 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1092 ' ' THR . . . . . 0.558 ' HB ' ' CE1' ' A' 1094 ' ' PHE . 2.7 p -95.71 163.33 13.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -154.99 74.37 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1094 ' ' PHE . . . . . 0.558 ' CE1' ' HB ' ' A' 1092 ' ' THR . 17.0 m-85 -77.18 133.75 38.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -154.27 132.77 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -90.72 128.23 36.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 9.7 m -114.02 131.43 23.17 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 152.16 40.1 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.449 1.763 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 62.7 20.86 62.29 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.544 1.153 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1100 ' ' CYS . . . . . 0.597 ' SG ' ' CZ3' ' A' 1153 ' ' TRP . 1.6 m -144.48 -74.63 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 159.65 -130.35 2.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 6.3 pt -126.21 135.86 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 0.742 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -133.01 169.58 22.5 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.059 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1104 ' ' CYS . . . . . . . . . . . . . 3.5 p -162.88 139.07 7.24 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1105 ' ' LYS . . . . . 0.432 ' O ' ' HA ' ' A' 1092 ' ' THR . 3.6 mttt -108.23 154.33 21.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.593 1.183 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1106 ' ' VAL . . . . . 0.583 ' HA ' ' O ' ' A' 1091 ' ' CYS . 5.8 p -141.78 130.18 22.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1107 ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' 1108 ' ' ASN . 24.7 p -150.1 135.79 18.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1108 ' ' ASN . . . . . 0.496 ' CB ' ' HA ' ' A' 1090 ' ' TYR . 0.2 OUTLIER 161.48 -27.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1109 ' ' VAL . . . . . 0.502 ' CG2' ' OH ' ' A' 1090 ' ' TYR . 7.6 p -48.55 -25.23 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -45.68 85.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -75.81 -32.53 53.46 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1112 ' ' ILE . . . . . 0.419 ' O ' ' CE1' ' A' 1115 ' ' HIS . 44.8 mm -67.88 -34.27 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1113 ' ' LEU . . . . . 0.48 ' CD1' ' C ' ' A' 1113 ' ' LEU . 0.3 OUTLIER -85.28 -36.04 21.13 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1114 ' ' ALA . . . . . . . . . . . . . . . -118.55 117.75 29.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1115 ' ' HIS . . . . . 0.419 ' CE1' ' O ' ' A' 1112 ' ' ILE . 0.7 OUTLIER -177.82 -176.5 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.628 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.2 179.02 4.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.432 1.082 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -140.53 65.57 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.49 120.12 79.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 119.51 5.7 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.781 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 68.14 123.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 17.0 p -94.88 -96.23 0.17 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.572 1.17 . . . . 0.0 110.033 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1122 ' ' ALA . . . . . . . . . . . . . . . -158.15 70.2 3.95 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 118.07 5.15 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.524 1.802 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . -163.97 -147.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1125 ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' 1126 ' ' HIS . 45.7 m -102.69 61.08 0.81 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1126 ' ' HIS . . . . . 0.406 ' CB ' ' O ' ' A' 1125 ' ' SER . 8.1 t60 80.39 53.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.617 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -15.15 26.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1128 ' ' ASN . . . . . . . . . . . . . 34.5 t30 -58.89 90.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.25 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -132.73 32.41 3.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . -147.75 -167.79 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . 158.01 86.16 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 1.8 t -175.29 122.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 110.015 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1133 ' ' LEU . . . . . . . . . . . . . 4.5 mp -124.8 155.41 70.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1134 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 -58.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.532 1.806 . . . . 0.0 110.98 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . 66.37 79.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -96.03 -60.79 1.56 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.07 . . . . 0.0 110.256 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.75 157.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.45 106.18 7.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1139 ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' 1140 ' ' VAL . . . -156.62 67.48 0.56 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.072 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1140 ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' 1139 ' ' ALA . 0.2 OUTLIER -37.77 134.62 0.81 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 144.04 29.75 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.567 1.825 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.14 141.76 32.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1143 ' ' THR . . . . . . . . . . . . . 8.5 t -121.38 135.51 55.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.405 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -105.25 139.7 39.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 15.9 t -119.72 130.66 55.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 0.0 110.019 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1146 ' ' VAL . . . . . 0.44 HG23 ' CD1' ' A' 1184 ' ' ILE . 57.8 t -120.34 128.7 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 1.1 mp -108.05 120.12 41.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1148 ' ' ILE . . . . . 0.451 HG22 HG11 ' A' 1182 ' ' VAL . 0.1 OUTLIER -120.58 157.39 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 166.16 -154.63 25.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.584 1.178 . . . . 0.0 110.965 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 5.4 m120 -68.78 142.88 54.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.761 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1151 ' ' ARG . . . . . 0.474 ' O ' ' CG ' ' A' 1155 ' ' ARG . 3.1 mtm180 -54.69 -27.3 39.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1152 ' ' GLU . . . . . 0.454 ' OE2' ' N ' ' A' 1153 ' ' TRP . 0.5 OUTLIER -70.03 -38.89 76.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.236 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1153 ' ' TRP . . . . . 0.597 ' CZ3' ' SG ' ' A' 1100 ' ' CYS . 0.1 OUTLIER -74.03 -52.32 13.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 107.988 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1154 ' ' LEU . . . . . 0.564 HD11 ' HB1' ' A' 1183 ' ' ALA . 0.1 OUTLIER -55.97 -47.14 78.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1155 ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' 1151 ' ' ARG . 0.9 OUTLIER -62.29 -50.32 72.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -64.94 -16.42 63.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 43.3 t30 -76.52 -66.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1158 ' ' GLY . . . . . 0.596 ' O ' ' CD2' ' A' 1159 ' ' LEU . . . -63.4 -67.73 1.95 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.488 1.118 . . . . 0.0 111.072 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.596 ' CD2' ' O ' ' A' 1158 ' ' GLY . 0.0 OUTLIER 177.18 122.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1160 ' ' THR . . . . . 0.55 ' OG1' ' O ' ' A' 1159 ' ' LEU . 62.2 m -162.69 177.45 9.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 110.364 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1161 ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' 1162 ' ' SER . 0.4 OUTLIER -59.62 -153.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.323 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1162 ' ' SER . . . . . 0.485 ' N ' ' CG2' ' A' 1161 ' ' ILE . 47.9 t -66.67 143.39 57.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.048 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1163 ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.4 OUTLIER -66.28 -32.7 74.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.028 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 2.4 t0 -70.75 -39.24 73.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 19.3 t -69.95 -49.34 57.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.443 1.09 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1166 ' ' SER . . . . . . . . . . . . . 4.0 t -67.46 -33.28 74.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1167 ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' 1163 ' ' SER . 1.1 t70 -66.32 -42.7 87.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -66.88 -36.55 82.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 5.7 mmt -65.19 -48.74 72.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1170 ' ' THR . . . . . . . . . . . . . 3.0 m -66.52 -45.66 78.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1171 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.28 -41.63 84.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.38 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.96 -47.21 86.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.586 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1173 ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -65.71 -37.73 87.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 8.0 ttt -66.92 -9.35 37.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 -10.91 44.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -119.17 -57.37 0.26 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.404 1.065 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1177 ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -126.45 174.88 8.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1178 ' ' THR . . . . . . . . . . . . . 78.5 m -103.2 123.1 46.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.391 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1179 ' ' ALA . . . . . 0.431 ' CB ' ' CZ ' ' A' 1151 ' ' ARG . . . -130.93 128.07 39.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1180 ' ' ILE . . . . . . . . . . . . . 30.6 pt -134.09 129.22 53.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1181 ' ' LEU . . . . . 0.411 ' HB3' ' CB ' ' A' 1154 ' ' LEU . 0.0 OUTLIER -101.75 133.84 45.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1182 ' ' VAL . . . . . 0.451 HG11 HG22 ' A' 1148 ' ' ILE . 60.9 t -119.69 120.15 62.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1183 ' ' ALA . . . . . 0.564 ' HB1' HD11 ' A' 1154 ' ' LEU . . . -116.5 151.6 35.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1184 ' ' ILE . . . . . 0.493 ' O ' HG23 ' A' 1187 ' ' VAL . 1.2 tt -108.63 113.56 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 1.6 t70 55.74 40.49 30.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.14 14.67 76.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1187 ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' 1184 ' ' ILE . 2.3 t -114.12 153.74 15.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.492 0.76 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1188 ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' 1045 ' ' LEU . 0.3 OUTLIER -60.84 143.26 55.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1189 ' ' CYS . . . . . 0.593 ' O ' ' N ' ' A' 1046 ' ' GLY . 2.8 t -145.39 -62.63 0.34 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 108.308 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1190 ' ' GLY . . . . . 0.45 ' O ' ' HB ' ' A' 1182 ' ' VAL . . . 177.09 158.67 20.87 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1191 ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -124.55 148.14 47.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1192 ' ' ILE . . . . . . . . . . . . . 19.5 mt -109.01 134.4 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -118.58 125.66 50.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1194 ' ' ILE . . . . . 0.427 ' CG1' ' HA ' ' A' 1039 ' ' VAL . 4.1 mt -112.85 137.32 46.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1195 ' ' ALA . . . . . 0.406 ' HB3' ' HG3' ' A' 1040 ' ' MET . . . -141.1 106.41 5.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 22.2 t0 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . -85.55 -151.5 16.22 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1034 ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -112.89 64.56 0.64 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 0.75 . . . . 0.0 109.579 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.44 100.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1036 ' ' VAL . . . . . . . . . . . . . 29.7 m -117.8 145.15 35.9 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.362 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 165.82 30.51 Favored 'Trans proline' 0 C--N 1.359 1.079 0 O-C-N 124.503 1.791 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1038 ' ' ARG . . . . . 0.481 ' HA ' HD23 ' A' 1071 ' ' LEU . 0.2 OUTLIER -108.8 163.45 13.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1039 ' ' VAL . . . . . 0.436 ' HA ' ' CG1' ' A' 1194 ' ' ILE . 4.9 m -67.73 135.92 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1040 ' ' MET . . . . . 0.413 ' HB2' ' CB ' ' A' 1195 ' ' ALA . 8.1 tpt -94.34 -42.41 8.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.63 156.91 8.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -116.77 137.21 51.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.47 130.34 54.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.24 110.86 19.91 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1045 ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' 1189 ' ' CYS . 34.4 tp -142.42 84.86 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.223 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1046 ' ' GLY . . . . . . . . . . . . . . . -141.74 -141.99 4.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.439 1.087 . . . . 0.0 110.967 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 3.9 t0 -149.76 144.99 26.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 0.755 . . . . 0.0 109.373 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1048 ' ' VAL . . . . . . . . . . . . . 2.3 t -131.02 33.44 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1049 ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' 1050 ' ' THR . . . -84.36 6.7 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1050 ' ' THR . . . . . 0.453 ' CB ' ' O ' ' A' 1049 ' ' ALA . 0.9 OUTLIER 169.29 -30.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1051 ' ' LEU . . . . . . . . . . . . . 23.1 mt -82.06 125.93 76.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 132.61 15.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.459 1.768 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 22.1 tp -77.18 -39.29 49.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -64.55 -47.95 76.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.92 -47.39 77.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.377 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1056 ' ' VAL . . . . . . . . . . . . . 3.3 t -58.15 -43.49 85.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 9.5 mt -64.3 -33.93 76.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -62.47 -47.02 85.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1059 ' ' VAL . . . . . . . . . . . . . 20.1 t -69.19 -47.89 71.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1060 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.53 -38.82 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1061 ' ' GLY . . . . . 0.467 ' O ' ' HB2' ' A' 1065 ' ' ALA . . . -73.42 -36.45 54.92 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1062 ' ' THR . . . . . 0.474 ' CG2' ' HB2' ' A' 1090 ' ' TYR . 0.5 OUTLIER -60.24 -40.64 90.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 0.81 . . . . 0.0 110.361 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1063 ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' 1067 ' ' SER . . . -83.83 -43.21 15.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1064 ' ' GLU . . . . . 0.409 ' HB3' ' CB ' ' A' 1076 ' ' THR . 27.4 mt-10 -54.56 -43.61 72.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1065 ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' 1061 ' ' GLY . . . -75.03 -22.37 58.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.407 1.067 . . . . 0.0 109.335 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1066 ' ' SER . . . . . . . . . . . . . 25.1 t -112.8 31.62 6.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 109.998 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1067 ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' 1063 ' ' ALA . 5.3 m -71.24 -147.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1068 ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -137.8 11.16 2.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1069 ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -112.68 127.41 26.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.6 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1070 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.68 3.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1071 ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' 1038 ' ' ARG . 0.7 OUTLIER -167.03 -52.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.599 1.187 . . . . 0.0 109.331 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -59.48 -32.52 73.28 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.573 1.17 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1073 ' ' VAL . . . . . 0.402 ' CG1' ' O ' ' A' 1065 ' ' ALA . 38.0 t -69.49 -37.95 75.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -68.41 -35.51 77.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.081 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1075 ' ' VAL . . . . . . . . . . . . . 74.5 t -63.78 -54.64 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1076 ' ' THR . . . . . 0.434 HG21 ' N ' ' A' 1065 ' ' ALA . 0.6 OUTLIER -64.78 -41.92 95.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.178 . . . . 0.0 110.364 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -46.16 84.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 64.5 t80 -62.61 -40.12 95.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1079 ' ' CYS . . . . . 0.459 ' O ' ' CD1' ' A' 1083 ' ' LEU . 0.1 OUTLIER -63.54 -34.14 77.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 108.24 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1080 ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' 1085 ' ' THR . 0.0 OUTLIER -66.91 -43.76 82.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.25 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -42.16 98.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.95 -19.69 51.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1083 ' ' LEU . . . . . 0.459 ' CD1' ' O ' ' A' 1079 ' ' CYS . 2.1 mt -82.72 -23.31 34.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 69.97 42.18 69.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1085 ' ' THR . . . . . 0.424 ' O ' ' HG2' ' A' 1080 ' ' LYS . 0.2 OUTLIER -134.92 121.8 21.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 110.436 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -91.34 17.24 8.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.421 ' O ' ' CG ' ' A' 1088 ' ' LEU . 1.9 t -55.09 136.06 48.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.355 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1088 ' ' LEU . . . . . 0.421 ' CG ' ' O ' ' A' 1087 ' ' THR . 0.3 OUTLIER 169.55 160.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 109.357 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 116.5 27.95 2.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1090 ' ' TYR . . . . . 0.504 ' OH ' ' CG2' ' A' 1109 ' ' VAL . 6.1 m-85 -93.32 161.47 14.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 0.751 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1091 ' ' CYS . . . . . 0.57 ' O ' ' HA ' ' A' 1106 ' ' VAL . 4.3 t -94.79 113.32 25.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 108.301 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1092 ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' 1105 ' ' LYS . 29.7 p -95.65 163.02 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 5.7 t0 -158.2 74.66 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1094 ' ' PHE . . . . . . . . . . . . . 1.6 p90 -74.64 160.65 30.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -178.76 129.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.405 1.065 . . . . 0.0 110.314 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -95.08 132.5 39.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 3.0 p -115.21 129.24 25.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 148.12 35.22 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.445 1.761 . . . . 0.0 111.023 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 61.13 29.32 70.78 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1100 ' ' CYS . . . . . . . . . . . . . 1.2 m -151.16 -70.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 158.46 -128.93 2.16 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.409 1.068 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.09 154.1 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 109.31 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -151.66 159.76 28.43 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1104 ' ' CYS . . . . . . . . . . . . . 36.0 t -160.84 151.71 18.56 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1105 ' ' LYS . . . . . 0.405 ' O ' ' HA ' ' A' 1092 ' ' THR . 24.4 mttt -120.04 153.65 35.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.373 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1106 ' ' VAL . . . . . 0.57 ' HA ' ' O ' ' A' 1091 ' ' CYS . 7.5 t -144.35 130.34 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1107 ' ' SER . . . . . . . . . . . . . 24.9 p -149.73 142.24 24.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.417 1.073 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1108 ' ' ASN . . . . . 0.502 ' CB ' ' HA ' ' A' 1090 ' ' TYR . 11.9 t-20 168.51 -37.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1109 ' ' VAL . . . . . 0.542 ' O ' ' CD2' ' A' 1113 ' ' LEU . 0.4 OUTLIER -48.24 -25.84 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1110 ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' 1114 ' ' ALA . 14.2 tm-20 -61.6 -46.84 88.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -75.59 -26.14 66.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1112 ' ' ILE . . . . . . . . . . . . . 34.0 mm -62.56 -49.5 83.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.752 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1113 ' ' LEU . . . . . 0.542 ' CD2' ' O ' ' A' 1109 ' ' VAL . 0.7 OUTLIER -73.56 -39.57 64.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1114 ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' 1110 ' ' GLU . . . -163.74 122.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -98.75 159.23 15.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.563 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 67.5 p -173.34 154.05 2.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.938 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -178.17 77.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.78 147.56 41.33 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 162.08 37.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.88 -68.62 0.4 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 3.6 t -148.28 -95.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1122 ' ' ALA . . . . . . . . . . . . . . . -166.51 127.02 1.23 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 114.93 4.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . -174.76 92.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1125 ' ' SER . . . . . . . . . . . . . 16.9 m 64.39 151.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1126 ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -172.7 57.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.59 1.181 . . . . 0.0 109.54 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.93 -13.11 56.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.286 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1128 ' ' ASN . . . . . . . . . . . . . 47.8 t30 -47.77 141.5 5.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -49.74 171.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . -41.36 -61.5 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . 72.41 116.4 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 18.1 p -45.23 169.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 0.792 . . . . 0.0 109.989 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1133 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.14 142.4 97.02 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1134 ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' 1135 ' ' ALA . 18.2 Cg_endo -75.05 -57.23 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.78 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1135 ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' 1134 ' ' PRO . . . 83.4 -62.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 43.73 -94.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1137 ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' 1135 ' ' ALA . 4.9 tttt 75.39 107.91 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.72 131.67 27.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . 66.59 97.47 0.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1140 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -102.51 135.2 19.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.52 42.75 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.14 117.65 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 110.325 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1143 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.47 134.33 55.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.39 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -106.4 132.49 52.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1145 ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' 1185 ' ' ASP . 96.6 p -115.76 124.38 50.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.967 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1146 ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' 1183 ' ' ALA . 4.1 p -113.27 138.84 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -122.98 135.24 54.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1148 ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -132.96 157.74 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 158.88 -147.39 14.87 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 11.2 m120 -67.76 138.95 56.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1151 ' ' ARG . . . . . 0.46 ' HB2' ' CG2' ' A' 1170 ' ' THR . 0.0 OUTLIER -51.14 -27.06 7.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1152 ' ' GLU . . . . . 0.409 ' HA ' ' OG ' ' A' 1166 ' ' SER . 0.0 OUTLIER -67.89 -37.11 81.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1153 ' ' TRP . . . . . 0.584 ' CE3' ' O ' ' A' 1153 ' ' TRP . 1.5 t-105 -66.01 -48.3 71.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1154 ' ' LEU . . . . . 0.432 ' CD1' ' CB ' ' A' 1183 ' ' ALA . 3.6 mm? -65.6 -36.08 82.7 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1155 ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' 1159 ' ' LEU . 0.0 OUTLIER -65.96 -44.66 84.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.367 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1156 ' ' ARG . . . . . 0.488 ' CZ ' ' OG ' ' A' 1163 ' ' SER . 10.6 mtp180 -71.82 -22.35 61.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.077 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1157 ' ' ASN . . . . . 0.425 ' ND2' ' CH2' ' A' 1153 ' ' TRP . 8.6 t-20 -82.15 -66.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . -61.61 -48.35 85.04 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.473 ' CD2' ' N ' ' A' 1159 ' ' LEU . 0.0 OUTLIER -124.78 -160.56 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.787 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1160 ' ' THR . . . . . 0.501 ' O ' ' CG1' ' A' 1161 ' ' ILE . 1.6 m -127.65 165.02 20.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1161 ' ' ILE . . . . . 0.536 ' CG2' ' N ' ' A' 1162 ' ' SER . 0.4 OUTLIER 163.93 169.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1162 ' ' SER . . . . . 0.536 ' N ' ' CG2' ' A' 1161 ' ' ILE . 1.0 OUTLIER -67.5 141.04 57.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 109.99 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1163 ' ' SER . . . . . 0.531 ' O ' ' CB ' ' A' 1167 ' ' ASP . 28.0 m -71.65 -39.57 70.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 67.2 t0 -71.73 -41.16 68.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 48.9 t -65.98 -50.19 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1166 ' ' SER . . . . . 0.409 ' OG ' ' HA ' ' A' 1152 ' ' GLU . 1.9 t -66.75 -46.83 74.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.002 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1167 ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' 1163 ' ' SER . 4.8 t70 -60.85 -37.28 81.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -63.23 -45.77 90.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 36.8 mmm -61.6 -49.48 76.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1170 ' ' THR . . . . . 0.46 ' CG2' ' HB2' ' A' 1151 ' ' ARG . 4.4 p -62.43 -46.85 86.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.349 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1171 ' ' ASP . . . . . 0.445 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.3 OUTLIER -58.61 -43.86 89.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 3.1 t60 -53.53 -47.34 70.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.639 1.212 . . . . 0.0 109.669 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1173 ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' 1177 ' ' GLN . 6.5 mm-40 -60.53 -37.59 81.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.244 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1174 ' ' MET . . . . . 0.405 ' HA ' ' O ' ' A' 1177 ' ' GLN . 0.0 OUTLIER -76.12 -8.43 57.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.22 10.32 17.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -150.39 -58.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1177 ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' 1174 ' ' MET . 55.9 mm-40 -127.29 174.61 8.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.767 . . . . 0.0 110.327 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1178 ' ' THR . . . . . 0.452 ' CG2' ' HB ' ' A' 1194 ' ' ILE . 53.3 m -96.86 119.09 34.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 110.322 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -127.88 127.51 43.52 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.531 1.145 . . . . 0.0 109.359 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1180 ' ' ILE . . . . . 0.426 ' CG1' ' O ' ' A' 1192 ' ' ILE . 18.6 pt -137.16 133.95 47.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1181 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.05 137.8 38.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1182 ' ' VAL . . . . . 0.424 ' O ' ' SG ' ' A' 1189 ' ' CYS . 1.8 t -120.35 123.33 70.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1183 ' ' ALA . . . . . 0.447 ' O ' HG22 ' A' 1146 ' ' VAL . . . -121.67 144.26 48.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1184 ' ' ILE . . . . . 0.783 ' O ' HG13 ' A' 1187 ' ' VAL . 1.2 tt -112.52 131.26 64.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1185 ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' 1145 ' ' SER . 0.5 OUTLIER 55.27 33.89 21.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.53 14.72 77.48 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.1 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1187 ' ' VAL . . . . . 0.783 HG13 ' O ' ' A' 1184 ' ' ILE . 1.1 p -119.46 153.07 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1188 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.49 149.19 39.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1189 ' ' CYS . . . . . 0.575 ' SG ' ' N ' ' A' 1190 ' ' GLY . 1.9 p -146.07 -46.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 108.322 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1190 ' ' GLY . . . . . 0.575 ' N ' ' SG ' ' A' 1189 ' ' CYS . . . 167.05 155.75 9.28 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1191 ' ' MET . . . . . . . . . . . . . 8.7 ptp -115.17 149.11 38.17 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.483 0.755 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1192 ' ' ILE . . . . . 0.426 ' O ' ' CG1' ' A' 1180 ' ' ILE . 18.3 mt -107.98 128.7 63.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -110.66 126.37 54.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1194 ' ' ILE . . . . . 0.452 ' HB ' ' CG2' ' A' 1178 ' ' THR . 6.7 mt -110.01 138.59 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1195 ' ' ALA . . . . . 0.413 ' CB ' ' HB2' ' A' 1040 ' ' MET . . . -132.0 104.82 7.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 109.313 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . 133.82 157.35 8.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.425 1.078 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1034 ' ' HIS . . . . . . . . . . . . . 6.6 m80 -132.63 78.43 1.8 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.529 0.782 . . . . 0.0 109.579 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.99 113.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1036 ' ' VAL . . . . . . . . . . . . . 32.9 m -118.03 124.48 28.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1037 ' ' PRO . . . . . 0.51 ' O ' HD11 ' A' 1071 ' ' LEU . 18.3 Cg_endo -74.99 -168.27 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.553 1.817 . . . . 0.0 111.068 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1038 ' ' ARG . . . . . 0.463 ' O ' HG22 ' A' 1194 ' ' ILE . 0.0 OUTLIER -104.21 162.08 13.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1039 ' ' VAL . . . . . . . . . . . . . 3.8 m -68.39 136.57 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1040 ' ' MET . . . . . 0.446 ' SD ' ' CB ' ' A' 1195 ' ' ALA . 8.6 ptt? -100.11 -38.24 8.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1041 ' ' ARG . . . . . 0.46 ' NE ' HD13 ' A' 1043 ' ' LEU . 0.1 OUTLIER -171.26 158.82 5.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1042 ' ' VAL . . . . . 0.694 HG21 ' O ' ' A' 1191 ' ' MET . 1.7 p -124.33 137.24 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.615 1.197 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1043 ' ' LEU . . . . . 0.46 HD13 ' NE ' ' A' 1041 ' ' ARG . 0.0 OUTLIER -102.23 151.62 22.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 5.1 tp -92.33 131.97 37.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1045 ' ' LEU . . . . . 0.55 ' O ' ' CG ' ' A' 1188 ' ' LEU . 0.3 OUTLIER -146.61 25.88 1.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1046 ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -107.57 -148.62 14.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 1.6 t70 175.61 170.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1048 ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' 1051 ' ' LEU . 42.6 t -113.93 27.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -93.65 -5.88 47.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1050 ' ' THR . . . . . . . . . . . . . 7.9 m -136.62 -39.22 0.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.403 1.064 . . . . 0.0 110.392 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1051 ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' 1048 ' ' VAL . 13.1 mt -153.33 149.77 22.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.224 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 132.6 15.68 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.801 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.25 -27.16 68.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.37 -49.3 76.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.243 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -40.4 94.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1056 ' ' VAL . . . . . . . . . . . . . 12.7 t -63.57 -38.85 83.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.603 1.189 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1057 ' ' LEU . . . . . 0.407 ' O ' HG13 ' A' 1060 ' ' VAL . 0.2 OUTLIER -64.54 -36.96 85.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -68.0 -45.26 74.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1059 ' ' VAL . . . . . 0.473 HG23 ' CG1' ' A' 1109 ' ' VAL . 0.4 OUTLIER -63.26 -42.0 94.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1060 ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' 1057 ' ' LEU . 0.4 OUTLIER -68.44 -34.85 67.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.352 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1061 ' ' GLY . . . . . 0.461 ' HA2' ' CG2' ' A' 1076 ' ' THR . . . -60.79 -48.35 86.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.421 1.075 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1062 ' ' THR . . . . . . . . . . . . . 51.3 m -79.16 -31.05 43.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 0.75 . . . . 0.0 110.425 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1063 ' ' ALA . . . . . 0.566 ' HA ' ' CD2' ' A' 1090 ' ' TYR . . . -62.66 -53.74 49.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1064 ' ' GLU . . . . . 0.522 ' O ' ' CG2' ' A' 1073 ' ' VAL . 0.1 OUTLIER -71.03 -45.28 64.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1065 ' ' ALA . . . . . 0.482 ' O ' ' CG1' ' A' 1073 ' ' VAL . . . -54.4 -36.55 64.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1066 ' ' SER . . . . . 0.447 ' O ' ' OG ' ' A' 1066 ' ' SER . 5.2 t -117.41 35.08 4.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1067 ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' 1068 ' ' GLU . 0.4 OUTLIER -86.68 -27.97 23.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.971 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1068 ' ' GLU . . . . . 0.541 ' CB ' ' O ' ' A' 1067 ' ' SER . 0.4 OUTLIER 89.72 27.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1069 ' ' HIS . . . . . . . . . . . . . 10.0 t60 -111.09 127.13 27.38 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.647 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1070 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 54.72 3.72 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.47 1.773 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1071 ' ' LEU . . . . . 0.51 HD11 ' O ' ' A' 1037 ' ' PRO . 1.9 mt -178.6 -52.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1072 ' ' GLY . . . . . 0.449 ' O ' ' OG1' ' A' 1076 ' ' THR . . . -67.88 -33.69 80.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.449 1.093 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1073 ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' 1064 ' ' GLU . 75.3 t -70.04 -35.9 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.59 0.817 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -69.33 -38.35 78.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1075 ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' 1076 ' ' THR . 0.4 OUTLIER -61.51 -50.95 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1076 ' ' THR . . . . . 0.49 ' N ' ' CG1' ' A' 1075 ' ' VAL . 0.4 OUTLIER -68.53 -38.18 80.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.421 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -58.28 -47.08 84.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.376 1.047 . . . . 0.0 109.252 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -45.02 95.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -61.77 -34.65 76.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 108.307 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -38.1 84.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -63.64 -44.09 94.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -20.7 52.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 8.9 mt -83.74 -23.03 31.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 70.44 39.96 68.96 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1085 ' ' THR . . . . . . . . . . . . . 2.3 p -136.84 121.06 17.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 0.741 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -94.4 24.86 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 2.6 m -60.7 125.25 23.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1088 ' ' LEU . . . . . . . . . . . . . 9.6 mt -156.69 126.47 6.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.611 1.195 . . . . 0.0 109.282 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1089 ' ' GLY . . . . . 0.526 ' O ' ' CG ' ' A' 1108 ' ' ASN . . . 161.33 39.44 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.575 1.172 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1090 ' ' TYR . . . . . 0.604 ' CE2' HG23 ' A' 1092 ' ' THR . 0.2 OUTLIER -83.03 142.18 31.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 111.046 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1091 ' ' CYS . . . . . 0.591 ' O ' ' HA ' ' A' 1106 ' ' VAL . 15.5 t -100.85 124.8 47.06 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.502 1.126 . . . . 0.0 108.302 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1092 ' ' THR . . . . . 0.604 HG23 ' CE2' ' A' 1090 ' ' TYR . 2.2 p -92.72 137.59 32.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.431 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1093 ' ' ASP . . . . . 0.502 ' O ' ' CG ' ' A' 1105 ' ' LYS . 9.1 m-20 -163.01 78.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1094 ' ' PHE . . . . . 0.547 ' HA ' ' HA ' ' A' 1104 ' ' CYS . 43.2 p90 -107.92 -167.16 1.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 3.6 tt0 177.22 155.41 0.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -93.41 126.84 38.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.14 125.16 29.69 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 152.35 40.14 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.533 1.807 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 49.01 27.05 6.4 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1100 ' ' CYS . . . . . 0.492 ' O ' ' CG ' ' A' 1153 ' ' TRP . 8.0 m -141.63 -71.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 157.15 -127.44 1.94 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.44 1.087 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1102 ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' 1148 ' ' ILE . 1.2 pt -135.53 135.65 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.566 0.804 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -126.47 132.43 7.75 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.495 1.122 . . . . 0.0 111.045 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1104 ' ' CYS . . . . . 0.547 ' HA ' ' HA ' ' A' 1094 ' ' PHE . 3.1 p -121.48 145.23 48.15 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1105 ' ' LYS . . . . . 0.502 ' CG ' ' O ' ' A' 1093 ' ' ASP . 18.7 mtpt -118.73 153.56 34.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1106 ' ' VAL . . . . . 0.591 ' HA ' ' O ' ' A' 1091 ' ' CYS . 0.9 OUTLIER -140.53 135.22 35.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1107 ' ' SER . . . . . 0.577 ' O ' ' CB ' ' A' 1108 ' ' ASN . 0.7 OUTLIER -149.54 134.91 18.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.962 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1108 ' ' ASN . . . . . 0.577 ' CB ' ' O ' ' A' 1107 ' ' SER . 2.9 m-20 149.59 -24.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.247 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1109 ' ' VAL . . . . . 0.473 ' CG1' HG23 ' A' 1059 ' ' VAL . 24.8 m -57.25 -21.69 15.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1110 ' ' GLU . . . . . 0.402 ' C ' ' CD ' ' A' 1110 ' ' GLU . 5.4 tm-20 -66.19 -45.19 81.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.448 1.093 . . . . 0.0 110.32 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -76.73 -32.35 50.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1112 ' ' ILE . . . . . . . . . . . . . 22.6 mm -67.94 -34.17 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.784 . . . . 0.0 109.385 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1113 ' ' LEU . . . . . 0.466 ' CD1' ' C ' ' A' 1113 ' ' LEU . 0.3 OUTLIER -83.47 -36.32 24.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 109.258 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1114 ' ' ALA . . . . . . . . . . . . . . . -85.43 -147.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -177.06 166.62 2.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.585 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.17 136.61 43.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -169.92 78.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.81 101.61 42.32 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 158.54 42.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -63.0 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 2.0 m 64.81 -95.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.968 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1122 ' ' ALA . . . . . . . . . . . . . . . 56.5 85.51 0.19 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.388 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 125.27 9.24 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . 40.34 84.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.439 1.087 . . . . 0.0 109.244 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1125 ' ' SER . . . . . . . . . . . . . 2.8 t -95.77 -6.91 38.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 110.034 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1126 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.31 -14.98 30.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.555 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.515 ' O ' ' C ' ' A' 1128 ' ' ASN . 15.6 mt -56.25 -28.11 57.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1128 ' ' ASN . . . . . 0.515 ' C ' ' O ' ' A' 1127 ' ' LEU . 1.6 t-20 31.59 88.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -170.7 -69.87 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.596 1.185 . . . . 0.0 110.271 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . 73.1 165.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . -168.88 -58.87 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 57.7 p -133.54 153.94 51.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 110.032 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1133 ' ' LEU . . . . . . . . . . . . . 1.1 mt -98.95 138.45 20.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1134 ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' 1136 ' ' GLU . 18.3 Cg_endo -74.99 148.27 35.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 111.04 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . 69.23 -63.58 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1136 ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' 1134 ' ' PRO . 2.7 tt0 55.49 169.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 69.14 155.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.01 113.12 23.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1139 ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' 1140 ' ' VAL . . . -55.14 93.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1140 ' ' VAL . . . . . 0.424 HG22 ' HD2' ' A' 1141 ' ' PRO . 0.2 OUTLIER -39.2 136.99 1.0 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1141 ' ' PRO . . . . . 0.424 ' HD2' HG22 ' A' 1140 ' ' VAL . 18.2 Cg_endo -75.0 146.58 32.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -63.39 122.35 16.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1143 ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.6 129.65 53.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.419 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -106.05 142.49 35.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1145 ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' 1185 ' ' ASP . 26.7 p -116.84 130.4 56.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1146 ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' 1183 ' ' ALA . 43.8 t -123.13 128.88 75.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 5.6 mt -107.81 122.72 47.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1148 ' ' ILE . . . . . 0.405 HG23 ' HA ' ' A' 1182 ' ' VAL . 1.2 pt -119.47 157.3 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 158.54 -165.11 33.84 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.601 1.188 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 9.0 m120 -68.53 149.44 49.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 0.726 . . . . 0.0 109.273 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1151 ' ' ARG . . . . . . . . . . . . . 68.4 mtt180 -52.8 -34.2 52.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1152 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -38.21 88.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1153 ' ' TRP . . . . . 0.52 ' CE3' ' O ' ' A' 1153 ' ' TRP . 1.2 t-105 -60.23 -53.38 58.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 107.988 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1154 ' ' LEU . . . . . . . . . . . . . 6.9 mp -59.51 -41.12 89.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1155 ' ' ARG . . . . . 0.475 ' CD ' ' O ' ' A' 1160 ' ' THR . 33.7 mmt-85 -58.7 -46.21 87.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.273 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -71.25 -22.86 61.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 46.6 t30 -68.05 -50.34 55.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 169.81 52.84 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.434 1.084 . . . . 0.0 110.953 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1159 ' ' LEU . . . . . 0.426 ' O ' ' O ' ' A' 1160 ' ' THR . 0.3 OUTLIER -133.31 138.35 46.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.246 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1160 ' ' THR . . . . . 0.475 ' O ' ' CD ' ' A' 1155 ' ' ARG . 2.7 m -52.81 -170.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.551 1.157 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1161 ' ' ILE . . . . . . . . . . . . . 2.6 mp 66.59 148.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1162 ' ' SER . . . . . . . . . . . . . 41.6 t -70.07 143.73 52.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.015 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -35.16 79.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.947 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.82 -38.37 73.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 38.4 t -64.21 -50.38 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1166 ' ' SER . . . . . 0.455 ' CB ' ' HG3' ' A' 1155 ' ' ARG . 5.8 t -69.65 -34.42 73.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.026 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1167 ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.42 -44.85 89.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.14 84.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 4.3 ttt -64.88 -49.59 69.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1170 ' ' THR . . . . . . . . . . . . . 8.9 m -63.33 -49.0 75.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 110.371 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1171 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -41.37 93.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 10.6 m170 -55.72 -47.43 76.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.59 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1173 ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' 1177 ' ' GLN . 1.4 tt0 -58.49 -37.6 75.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -10.34 14.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 3.4 tttt -87.16 8.33 24.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.174 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -155.68 -57.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.402 1.064 . . . . 0.0 111.046 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1177 ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' 1173 ' ' GLU . 7.6 mp0 -125.93 174.9 8.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1178 ' ' THR . . . . . . . . . . . . . 2.3 m -105.16 122.55 46.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -130.0 128.45 42.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1180 ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -134.38 145.58 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.242 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1181 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.43 140.56 34.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1182 ' ' VAL . . . . . 0.405 ' HA ' HG23 ' A' 1148 ' ' ILE . 48.8 t -119.14 120.99 65.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1183 ' ' ALA . . . . . 0.431 ' O ' HG13 ' A' 1146 ' ' VAL . . . -120.59 149.13 42.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1184 ' ' ILE . . . . . 0.46 ' N ' ' O ' ' A' 1187 ' ' VAL . 1.4 tt -110.09 111.93 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1185 ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' 1145 ' ' SER . 40.7 t0 55.33 40.74 31.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.359 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.93 14.13 78.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1187 ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' 1184 ' ' ILE . 2.4 t -115.11 153.67 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 0.728 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1188 ' ' LEU . . . . . 0.55 ' CG ' ' O ' ' A' 1045 ' ' LEU . 0.6 OUTLIER -60.37 143.75 52.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1189 ' ' CYS . . . . . 0.555 ' O ' ' N ' ' A' 1046 ' ' GLY . 2.7 t -147.55 -59.68 0.27 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 0.0 108.347 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1190 ' ' GLY . . . . . 0.471 ' HA2' ' HB2' ' A' 1045 ' ' LEU . . . -179.13 -166.84 35.7 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1191 ' ' MET . . . . . 0.694 ' O ' HG21 ' A' 1042 ' ' VAL . 10.2 ptm -151.34 150.69 30.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 111.064 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1192 ' ' ILE . . . . . . . . . . . . . 2.0 mm -107.07 133.83 50.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -122.29 120.25 33.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1194 ' ' ILE . . . . . 0.463 HG22 ' O ' ' A' 1038 ' ' ARG . 7.2 mt -119.51 137.65 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1195 ' ' ALA . . . . . 0.446 ' CB ' ' SD ' ' A' 1040 ' ' MET . . . -141.33 114.76 8.84 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.423 1.077 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 7.3 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1037 ' ' PRO . . . . . 0.462 ' HB2' ' CG2' ' A' 1194 ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 110.931 -0.45 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1038 ' ' ARG . . . . . 0.932 ' O ' HG23 ' A' 1194 ' ' ILE . 5.5 mtp180 -135.88 154.79 51.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1039 ' ' VAL . . . . . 0.439 HG23 ' CE1' ' A' 1069 ' ' HIS . 64.6 t -72.46 136.89 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.24 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1040 ' ' MET . . . . . 0.578 ' CG ' ' HB3' ' A' 1195 ' ' ALA . 13.3 tpt -103.99 -44.09 5.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 111.086 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 6.4 ptt180 -169.8 157.09 6.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.413 1.071 . . . . 0.0 110.302 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -117.95 138.98 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.82 149.81 40.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 2.8 mt -77.45 136.08 38.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1045 ' ' LEU . . . . . 0.554 ' O ' ' CB ' ' A' 1188 ' ' LEU . 2.1 tp -144.72 22.5 1.61 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.416 1.072 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1046 ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -119.51 -151.85 8.95 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 10.1 t0 175.93 162.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 109.278 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1048 ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' 1048 ' ' VAL . 34.5 t -93.99 24.82 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -94.67 -12.26 27.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1050 ' ' THR . . . . . 0.869 ' O ' HD12 ' A' 1051 ' ' LEU . 18.9 m -118.37 -35.23 3.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.45 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1051 ' ' LEU . . . . . 0.869 HD12 ' O ' ' A' 1050 ' ' THR . 0.1 OUTLIER -173.63 168.31 2.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1052 ' ' PRO . . . . . 0.642 ' HD2' HD23 ' A' 1051 ' ' LEU . 18.3 Cg_endo -75.09 133.13 16.08 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.525 1.803 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1053 ' ' LEU . . . . . 0.574 ' HG ' HD12 ' A' 1057 ' ' LEU . 9.9 tp -68.27 -26.05 65.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -49.05 72.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -48.13 73.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' 1059 ' ' VAL . 3.5 t -58.58 -38.51 71.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.202 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1057 ' ' LEU . . . . . 0.574 HD12 ' HG ' ' A' 1053 ' ' LEU . 12.8 mt -67.53 -34.3 76.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1058 ' ' ALA . . . . . 0.401 ' O ' ' OG1' ' A' 1062 ' ' THR . . . -61.58 -50.55 72.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1059 ' ' VAL . . . . . 0.859 HG23 ' CD2' ' A' 1090 ' ' TYR . 9.2 p -70.15 -43.65 78.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.224 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1060 ' ' VAL . . . . . 0.525 ' O ' ' CG ' ' A' 1064 ' ' GLU . 3.9 t -57.52 -36.35 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1061 ' ' GLY . . . . . 0.411 ' O ' HG21 ' A' 1076 ' ' THR . . . -73.97 -36.64 51.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1062 ' ' THR . . . . . 0.931 HG21 ' HB2' ' A' 1090 ' ' TYR . 10.4 m -60.68 -39.96 90.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 110.44 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1063 ' ' ALA . . . . . . . . . . . . . . . -84.45 -42.25 15.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1064 ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' 1060 ' ' VAL . 4.5 mm-40 -54.63 -45.48 73.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1065 ' ' ALA . . . . . 0.68 ' HB2' HG22 ' A' 1076 ' ' THR . . . -75.56 -22.16 57.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1066 ' ' SER . . . . . 0.601 ' O ' ' CB ' ' A' 1067 ' ' SER . 3.1 t -62.1 -12.78 21.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.027 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1067 ' ' SER . . . . . 0.601 ' CB ' ' O ' ' A' 1066 ' ' SER . 3.9 p 94.56 152.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1068 ' ' GLU . . . . . 0.519 ' CB ' ' O ' ' A' 1067 ' ' SER . 1.0 OUTLIER 159.2 -28.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1069 ' ' HIS . . . . . 0.457 ' CG ' ' HD2' ' A' 1070 ' ' PRO . 36.0 t-80 -127.11 140.06 36.81 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.649 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1070 ' ' PRO . . . . . 0.496 ' O ' ' HB2' ' A' 1071 ' ' LEU . 18.4 Cg_endo -74.9 44.2 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.773 . . . . 0.0 111.041 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1071 ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' 1075 ' ' VAL . 0.2 OUTLIER 174.11 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 -179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -56.9 -38.13 82.55 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1073 ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' 1074 ' ' ALA . 0.3 OUTLIER -62.96 -47.9 90.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1074 ' ' ALA . . . . . 0.466 ' N ' ' CG1' ' A' 1073 ' ' VAL . . . -67.1 -33.0 74.52 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1075 ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' 1071 ' ' LEU . 34.7 t -64.42 -51.46 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.213 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1076 ' ' THR . . . . . 0.68 HG22 ' HB2' ' A' 1065 ' ' ALA . 0.8 OUTLIER -65.29 -50.39 65.88 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.49 1.119 . . . . 0.0 110.395 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -37.37 71.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1078 ' ' TYR . . . . . 0.441 ' CB ' ' O ' ' A' 1074 ' ' ALA . 18.9 t80 -66.55 -50.21 63.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 111.048 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1079 ' ' CYS . . . . . 0.833 ' O ' HD12 ' A' 1083 ' ' LEU . 5.0 p -61.29 -34.36 75.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.254 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -46.5 88.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.402 1.064 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.81 -35.9 81.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.53 -21.49 48.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1083 ' ' LEU . . . . . 0.833 HD12 ' O ' ' A' 1079 ' ' CYS . 1.7 mt -83.95 -23.85 30.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 76.18 29.36 58.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.143 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1085 ' ' THR . . . . . . . . . . . . . 1.6 p -136.71 121.33 18.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 110.39 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1086 ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' 1087 ' ' THR . 11.4 pt-20 -93.78 25.73 3.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.827 ' O ' HD12 ' A' 1088 ' ' LEU . 5.1 m -36.35 146.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.343 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1088 ' ' LEU . . . . . 0.827 HD12 ' O ' ' A' 1087 ' ' THR . 0.0 OUTLIER 169.08 114.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 171.71 36.4 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1090 ' ' TYR . . . . . 0.931 ' HB2' HG21 ' A' 1062 ' ' THR . 0.1 OUTLIER -115.32 154.25 29.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.987 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1091 ' ' CYS . . . . . 0.612 ' O ' ' HA ' ' A' 1106 ' ' VAL . 53.8 t -109.45 114.25 27.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 108.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1092 ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' 1105 ' ' LYS . 0.2 OUTLIER -94.02 165.74 12.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 110.398 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -160.9 81.73 0.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1094 ' ' PHE . . . . . 0.487 ' HA ' ' CB ' ' A' 1104 ' ' CYS . 1.5 p90 -73.24 166.76 22.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -178.57 146.7 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 110.245 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -105.72 129.57 53.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 1.4 t -114.74 131.0 23.64 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 149.75 36.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.556 1.819 . . . . 0.0 110.983 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 56.31 32.21 60.27 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.423 1.077 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1100 ' ' CYS . . . . . 0.437 ' O ' ' CG ' ' A' 1153 ' ' TRP . 86.2 m -150.59 -68.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 150.75 -131.56 3.59 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.579 1.175 . . . . 0.0 111.006 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1102 ' ' ILE . . . . . 0.494 HD12 ' O ' ' A' 1148 ' ' ILE . 0.5 OUTLIER -116.81 156.44 18.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -157.5 162.49 32.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1104 ' ' CYS . . . . . 0.487 ' CB ' ' HA ' ' A' 1094 ' ' PHE . 31.4 p -163.21 158.26 21.42 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1105 ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' 1092 ' ' THR . 4.4 mtpt -129.37 153.22 48.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.386 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1106 ' ' VAL . . . . . 0.723 HG22 ' CD1' ' A' 1090 ' ' TYR . 6.3 p -144.44 126.73 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1107 ' ' SER . . . . . 0.47 ' O ' ' HB2' ' A' 1108 ' ' ASN . 1.5 p -150.67 142.51 23.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1108 ' ' ASN . . . . . 0.488 ' HB2' ' HA ' ' A' 1090 ' ' TYR . 0.0 OUTLIER 162.92 -32.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1109 ' ' VAL . . . . . 0.528 ' CG1' ' OH ' ' A' 1090 ' ' TYR . 5.7 p -45.0 -27.58 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.225 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -70.09 -46.64 64.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1111 ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' 1108 ' ' ASN . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.454 -0.84 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -72.61 121.43 19.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 110.295 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1143 ' ' THR . . . . . 0.465 ' OG1' ' CB ' ' A' 1107 ' ' SER . 1.9 m -120.69 133.66 55.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.457 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -106.69 142.04 36.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1145 ' ' SER . . . . . . . . . . . . . 26.0 t -119.17 127.43 53.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1146 ' ' VAL . . . . . 0.962 HG22 HG13 ' A' 1184 ' ' ILE . 40.4 t -118.11 125.82 74.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 5.2 mt -108.29 138.36 44.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1148 ' ' ILE . . . . . 0.578 ' HB ' HG22 ' A' 1182 ' ' VAL . 0.2 OUTLIER -133.63 154.37 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1149 ' ' GLY . . . . . 0.41 ' N ' HG13 ' A' 1148 ' ' ILE . . . 157.35 -162.13 31.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.138 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -68.7 155.6 39.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1151 ' ' ARG . . . . . 0.823 ' HG2' HD13 ' A' 1181 ' ' LEU . 33.2 mtp180 -59.59 -34.02 72.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1152 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.69 -37.02 84.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1153 ' ' TRP . . . . . 0.437 ' CG ' ' O ' ' A' 1100 ' ' CYS . 2.7 t-105 -60.75 -52.36 65.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1154 ' ' LEU . . . . . 0.825 HD11 ' CB ' ' A' 1183 ' ' ALA . 3.6 mm? -61.78 -41.12 97.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1155 ' ' ARG . . . . . 0.634 ' NH2' HD12 ' A' 1161 ' ' ILE . 0.5 OUTLIER -56.85 -48.79 77.25 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.72 -24.24 62.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 55.1 t30 -64.37 -46.32 83.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 160.38 56.24 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1159 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.91 -160.37 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1160 ' ' THR . . . . . 0.611 HG22 ' H ' ' A' 1161 ' ' ILE . 2.4 m -107.75 -169.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.366 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1161 ' ' ILE . . . . . 0.634 HD12 ' NH2' ' A' 1155 ' ' ARG . 26.8 mt 59.17 160.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1162 ' ' SER . . . . . 0.439 ' N ' ' CG2' ' A' 1161 ' ' ILE . 36.4 t -76.76 144.24 39.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1163 ' ' SER . . . . . 0.421 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.3 OUTLIER -65.01 -36.2 83.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.584 1.178 . . . . 0.0 110.042 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 19.7 t0 -71.02 -39.87 72.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 37.2 t -64.36 -50.65 75.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1166 ' ' SER . . . . . 0.435 ' OG ' ' NE ' ' A' 1155 ' ' ARG . 6.0 t -68.43 -34.51 76.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1167 ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' 1171 ' ' ASP . 4.0 t70 -64.9 -45.66 84.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1168 ' ' ALA . . . . . 0.532 ' O ' ' CG ' ' A' 1172 ' ' HIS . . . -64.87 -36.16 83.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -49.97 65.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1170 ' ' THR . . . . . . . . . . . . . 2.5 m -63.46 -48.75 76.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.42 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1171 ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.1 OUTLIER -61.27 -42.77 99.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1172 ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' 1168 ' ' ALA . 0.3 OUTLIER -54.44 -46.58 73.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.546 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1173 ' ' GLU . . . . . 0.44 ' HG2' ' CG ' ' A' 1177 ' ' GLN . 0.2 OUTLIER -57.11 -37.38 71.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.69 -10.37 8.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 16.9 tttt -86.3 10.47 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -160.87 -56.27 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1177 ' ' GLN . . . . . 0.44 ' CG ' ' HG2' ' A' 1173 ' ' GLU . 7.4 pt20 -125.51 174.16 8.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1178 ' ' THR . . . . . . . . . . . . . 22.0 m -108.53 119.86 40.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.468 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -112.84 130.15 56.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1180 ' ' ILE . . . . . 0.457 HD11 ' CG2' ' A' 1192 ' ' ILE . 30.8 pt -135.9 129.79 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1181 ' ' LEU . . . . . 0.823 HD13 ' HG2' ' A' 1151 ' ' ARG . 1.2 mp -102.42 138.36 39.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.384 1.053 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1182 ' ' VAL . . . . . 0.578 HG22 ' HB ' ' A' 1148 ' ' ILE . 1.0 OUTLIER -119.58 119.52 60.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1183 ' ' ALA . . . . . 0.825 ' CB ' HD11 ' A' 1154 ' ' LEU . . . -118.0 149.75 40.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1184 ' ' ILE . . . . . 0.962 HG13 HG22 ' A' 1146 ' ' VAL . 0.7 OUTLIER -108.82 115.41 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 3.5 t0 54.44 39.4 31.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.26 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.46 14.79 77.29 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.105 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1187 ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' 1184 ' ' ILE . 0.3 OUTLIER -113.82 153.74 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.347 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1188 ' ' LEU . . . . . 0.554 ' CB ' ' O ' ' A' 1045 ' ' LEU . 0.4 OUTLIER -61.15 142.18 56.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1189 ' ' CYS . . . . . 0.728 ' SG ' HD13 ' A' 1184 ' ' ILE . 5.5 t -145.1 -62.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 108.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1190 ' ' GLY . . . . . 0.523 ' HA2' ' N ' ' A' 1045 ' ' LEU . . . 178.44 159.39 22.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1191 ' ' MET . . . . . . . . . . . . . 4.5 ptm -123.55 148.88 45.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 0.746 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1192 ' ' ILE . . . . . 0.457 ' CG2' HD11 ' A' 1180 ' ' ILE . 19.5 mt -108.12 130.86 59.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -111.0 121.84 46.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.24 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1194 ' ' ILE . . . . . 0.932 HG23 ' O ' ' A' 1038 ' ' ARG . 2.4 mt -107.58 136.78 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1195 ' ' ALA . . . . . 0.578 ' HB3' ' CG ' ' A' 1040 ' ' MET . . . -140.64 106.86 5.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 5.4 t70 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1038 ' ' ARG . . . . . 0.506 ' O ' HG23 ' A' 1194 ' ' ILE . 0.2 OUTLIER -134.86 160.04 39.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.326 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1039 ' ' VAL . . . . . 0.712 ' CG1' HD12 ' A' 1071 ' ' LEU . 12.6 p -74.71 132.19 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1040 ' ' MET . . . . . 0.577 ' CG ' ' HB3' ' A' 1195 ' ' ALA . 0.0 OUTLIER -90.42 -41.8 11.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1041 ' ' ARG . . . . . 0.48 ' HG3' ' HB3' ' A' 1193 ' ' ALA . 5.3 ptt-85 -168.06 156.08 8.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.515 1.135 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -118.71 138.14 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.147 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1043 ' ' LEU . . . . . 0.624 ' HB3' HD21 ' A' 1045 ' ' LEU . 0.0 OUTLIER -106.23 146.97 29.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1044 ' ' LEU . . . . . 1.02 ' C ' HD22 ' A' 1045 ' ' LEU . 3.2 mt -84.66 126.04 33.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1045 ' ' LEU . . . . . 1.02 HD22 ' C ' ' A' 1044 ' ' LEU . 2.6 mm? -141.4 29.86 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1046 ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -133.32 117.94 2.02 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.12 124.62 25.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1048 ' ' VAL . . . . . 0.57 HG11 ' HB2' ' A' 1053 ' ' LEU . 2.4 t -94.24 31.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -93.05 -15.76 25.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1050 ' ' THR . . . . . . . . . . . . . 2.4 m -127.74 -35.9 2.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1051 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.54 144.11 28.87 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 133.48 16.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1053 ' ' LEU . . . . . 0.57 ' HB2' HG11 ' A' 1048 ' ' VAL . 17.1 tp -78.21 -34.37 49.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -40.96 90.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 110.357 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1055 ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' 1059 ' ' VAL . 0.1 OUTLIER -70.98 -49.5 44.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.52 ' O ' HG23 ' A' 1060 ' ' VAL . 0.3 OUTLIER -60.27 -37.08 72.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.595 1.184 . . . . 0.0 109.255 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.61 -45.34 90.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.53 86.02 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.432 1.082 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1059 ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' 1055 ' ' LYS . 92.5 t -59.38 -47.02 92.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1060 ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' 1056 ' ' VAL . 53.7 t -66.64 -35.16 74.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1061 ' ' GLY . . . . . 0.772 ' HA2' HG22 ' A' 1076 ' ' THR . . . -61.52 -46.86 93.46 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1062 ' ' THR . . . . . 0.857 HG22 ' HB3' ' A' 1090 ' ' TYR . 86.0 m -74.64 -30.47 61.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 0.763 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1063 ' ' ALA . . . . . 0.732 ' HB2' ' CE2' ' A' 1090 ' ' TYR . . . -65.01 -55.29 19.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1064 ' ' GLU . . . . . 0.687 ' HB2' HG21 ' A' 1076 ' ' THR . 2.9 mt-10 -63.02 -46.78 85.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1065 ' ' ALA . . . . . 0.621 ' HB2' ' HB ' ' A' 1076 ' ' THR . . . -62.2 -23.21 66.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1066 ' ' SER . . . . . . . . . . . . . 8.4 t -105.5 19.01 21.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1067 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.02 -150.27 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.044 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1068 ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -135.04 26.18 3.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1069 ' ' HIS . . . . . 0.428 ' HA ' ' HD3' ' A' 1070 ' ' PRO . 2.8 t-80 -91.21 130.06 41.3 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.628 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1070 ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' 1069 ' ' HIS . 18.4 Cg_endo -74.97 2.68 6.34 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.564 1.823 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1071 ' ' LEU . . . . . 0.712 HD12 ' CG1' ' A' 1039 ' ' VAL . 0.3 OUTLIER -130.35 -45.49 1.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1072 ' ' GLY . . . . . 0.42 ' O ' HG12 ' A' 1075 ' ' VAL . . . -60.04 -40.76 97.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1073 ' ' VAL . . . . . 0.487 ' CG2' ' HA ' ' A' 1065 ' ' ALA . 0.3 OUTLIER -72.74 -36.42 52.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 109.335 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -69.02 -36.16 77.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1075 ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' 1076 ' ' THR . 0.4 OUTLIER -67.11 -48.71 78.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1076 ' ' THR . . . . . 0.772 HG22 ' HA2' ' A' 1061 ' ' GLY . 1.2 p -67.14 -48.28 68.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.75 -37.75 71.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 13.4 t80 -64.89 -50.49 66.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 111.016 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1079 ' ' CYS . . . . . 0.722 ' O ' HD12 ' A' 1083 ' ' LEU . 2.1 p -59.4 -35.36 73.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 108.324 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 2.5 mttp -62.59 -43.28 99.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -37.41 86.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.15 . . . . 0.0 110.362 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.85 -20.82 48.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1083 ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' 1079 ' ' CYS . 2.4 mt -83.61 -23.82 31.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 88.1 14.92 61.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1085 ' ' THR . . . . . . . . . . . . . 1.8 p -137.19 120.88 17.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.372 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -100.36 -31.14 11.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 9.6 t -40.38 153.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1088 ' ' LEU . . . . . . . . . . . . . 58.9 mt -115.81 -169.15 1.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1089 ' ' GLY . . . . . 0.534 ' O ' ' CG ' ' A' 1108 ' ' ASN . . . 168.25 38.85 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1090 ' ' TYR . . . . . 0.857 ' HB3' HG22 ' A' 1062 ' ' THR . 8.1 t80 -126.39 125.01 41.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1091 ' ' CYS . . . . . 0.718 ' O ' ' HA ' ' A' 1106 ' ' VAL . 17.6 t -96.38 130.96 43.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 108.271 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1092 ' ' THR . . . . . 0.718 HG22 ' HE1' ' A' 1090 ' ' TYR . 8.7 p -94.23 139.07 31.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -170.77 77.76 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1094 ' ' PHE . . . . . 0.585 ' CB ' ' HA ' ' A' 1104 ' ' CYS . 51.0 p90 -106.86 -167.85 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 178.21 164.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -100.9 132.33 46.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 2.3 t -114.89 125.05 29.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 152.56 40.59 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 49.81 26.66 8.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1100 ' ' CYS . . . . . 0.563 ' HB3' ' CH2' ' A' 1153 ' ' TRP . 33.3 m -141.93 -74.51 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 161.47 -125.57 1.46 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.609 1.193 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 13.0 pt -132.78 135.76 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -129.01 127.58 5.59 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1104 ' ' CYS . . . . . 0.585 ' HA ' ' CB ' ' A' 1094 ' ' PHE . 19.9 p -116.58 140.69 49.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1105 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -121.8 153.41 38.36 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1106 ' ' VAL . . . . . 0.856 HG21 ' CD2' ' A' 1090 ' ' TYR . 0.9 OUTLIER -141.84 150.38 19.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1107 ' ' SER . . . . . 0.667 ' O ' ' CB ' ' A' 1108 ' ' ASN . 0.9 OUTLIER -150.86 149.84 30.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1108 ' ' ASN . . . . . 0.667 ' CB ' ' O ' ' A' 1107 ' ' SER . 3.6 t-20 141.33 -57.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1109 ' ' VAL . . . . . 0.502 HG11 HG22 ' A' 1059 ' ' VAL . 5.8 m -51.09 -18.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1110 ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' 1108 ' ' ASN . 2.6 pt-20 -62.8 -46.72 86.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.095 0 O-C-N 124.487 1.117 . . . . 0.0 110.946 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.079 -0.393 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1142 ' ' GLN . . . . . 0.426 ' O ' ' CD ' ' A' 1110 ' ' GLU . 2.3 tt0 -112.95 111.95 23.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.223 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1143 ' ' THR . . . . . . . . . . . . . 10.3 t -106.36 136.14 46.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.375 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -104.57 134.46 47.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1145 ' ' SER . . . . . . . . . . . . . 59.8 p -119.53 131.5 55.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.993 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1146 ' ' VAL . . . . . 0.91 HG13 ' O ' ' A' 1183 ' ' ALA . 80.5 t -117.67 138.78 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1147 ' ' LEU . . . . . 0.531 HD22 ' HZ2' ' A' 1153 ' ' TRP . 3.5 mt -107.06 121.53 44.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1148 ' ' ILE . . . . . 0.844 ' HB ' HG23 ' A' 1182 ' ' VAL . 0.2 OUTLIER -119.12 153.34 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.175 . . . . 0.0 109.232 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1149 ' ' GLY . . . . . 0.479 ' H ' HD12 ' A' 1148 ' ' ILE . . . 159.98 -172.72 36.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -69.16 174.08 4.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1151 ' ' ARG . . . . . . . . . . . . . 18.7 ttm-85 -63.12 -29.08 70.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1152 ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.08 -44.81 87.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.351 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1153 ' ' TRP . . . . . 0.563 ' CH2' ' HB3' ' A' 1100 ' ' CYS . 18.6 t-105 -61.89 -45.9 91.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 108.005 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1154 ' ' LEU . . . . . 0.795 HD11 ' HB2' ' A' 1183 ' ' ALA . 2.2 mm? -62.56 -36.78 83.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1155 ' ' ARG . . . . . 0.541 HH12 ' N ' ' A' 1163 ' ' SER . 3.4 mmm-85 -58.0 -49.85 75.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -25.92 63.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.35 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -63.53 -43.3 97.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 153.73 55.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.561 1.163 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.481 ' O ' ' NE ' ' A' 1155 ' ' ARG . 0.2 OUTLIER -125.0 133.71 52.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1160 ' ' THR . . . . . 0.618 HG22 ' H ' ' A' 1161 ' ' ILE . 2.2 m -69.98 -165.52 0.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1161 ' ' ILE . . . . . 0.618 ' H ' HG22 ' A' 1160 ' ' THR . 0.1 OUTLIER 78.8 160.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1162 ' ' SER . . . . . . . . . . . . . 41.0 t -69.78 143.91 52.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1163 ' ' SER . . . . . 0.541 ' N ' HH12 ' A' 1155 ' ' ARG . 0.2 OUTLIER -66.53 -34.07 77.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.95 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1164 ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' 1168 ' ' ALA . 24.0 t0 -70.87 -35.19 72.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.393 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 56.0 t -71.84 -49.7 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1166 ' ' SER . . . . . . . . . . . . . 6.4 t -65.29 -46.08 81.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1167 ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' 1163 ' ' SER . 21.1 t70 -63.11 -44.09 96.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1168 ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' 1164 ' ' ASP . . . -62.96 -37.12 85.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 3.9 mtt -66.71 -48.82 68.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1170 ' ' THR . . . . . 0.435 ' CG2' ' N ' ' A' 1171 ' ' ASP . 0.7 OUTLIER -63.22 -47.78 81.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.36 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1171 ' ' ASP . . . . . 0.435 ' N ' ' CG2' ' A' 1170 ' ' THR . 0.1 OUTLIER -63.65 -39.45 94.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -56.15 -47.59 77.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.593 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1173 ' ' GLU . . . . . 0.456 ' HG2' ' HB2' ' A' 1179 ' ' ALA . 1.4 tp10 -59.5 -45.48 91.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.34 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -10.46 17.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.19 10.9 15.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -158.43 -57.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1177 ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' 1173 ' ' GLU . 38.8 mt-30 -126.56 174.14 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1178 ' ' THR . . . . . . . . . . . . . 1.1 p -99.95 119.86 38.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1179 ' ' ALA . . . . . 0.456 ' HB2' ' HG2' ' A' 1173 ' ' GLU . . . -117.37 127.77 54.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1180 ' ' ILE . . . . . 0.823 ' HB ' HD11 ' A' 1148 ' ' ILE . 25.2 pt -131.42 130.39 62.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1181 ' ' LEU . . . . . 0.702 ' O ' HD12 ' A' 1148 ' ' ILE . 4.7 mp -105.41 136.6 44.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1182 ' ' VAL . . . . . 0.844 HG23 ' HB ' ' A' 1148 ' ' ILE . 0.4 OUTLIER -119.7 130.94 73.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1183 ' ' ALA . . . . . 0.91 ' O ' HG13 ' A' 1146 ' ' VAL . . . -122.27 147.66 45.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1184 ' ' ILE . . . . . 0.89 ' O ' HG12 ' A' 1187 ' ' VAL . 0.2 OUTLIER -109.7 126.18 66.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1185 ' ' ASP . . . . . 0.602 ' N ' HD13 ' A' 1184 ' ' ILE . 3.3 t70 56.72 34.85 25.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.76 16.24 77.98 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1187 ' ' VAL . . . . . 0.89 HG12 ' O ' ' A' 1184 ' ' ILE . 0.3 OUTLIER -119.49 155.75 22.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.403 0.708 . . . . 0.0 109.288 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1188 ' ' LEU . . . . . 0.709 HD22 ' HB3' ' A' 1045 ' ' LEU . 0.9 OUTLIER -60.16 147.96 37.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.252 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1189 ' ' CYS . . . . . 0.618 ' O ' ' N ' ' A' 1046 ' ' GLY . 9.1 t -146.39 -59.98 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.17 . . . . 0.0 108.269 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1190 ' ' GLY . . . . . 0.588 ' O ' HG12 ' A' 1182 ' ' VAL . . . 179.87 157.91 20.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1191 ' ' MET . . . . . 0.566 ' H ' HD23 ' A' 1045 ' ' LEU . 0.0 OUTLIER -122.74 147.84 46.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.949 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1192 ' ' ILE . . . . . 0.618 HG23 HG23 ' A' 1039 ' ' VAL . 2.3 mt -109.56 134.87 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1193 ' ' ALA . . . . . 0.48 ' HB3' ' HG3' ' A' 1041 ' ' ARG . . . -115.19 125.83 53.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1194 ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' 1038 ' ' ARG . 4.8 mt -110.84 138.81 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1195 ' ' ALA . . . . . 0.689 ' O ' ' OXT' ' A' 1196 ' ' ASP . . . -135.61 102.72 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1196 ' ' ASP . . . . . 0.689 ' OXT' ' O ' ' A' 1195 ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.945 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1038 ' ' ARG . . . . . 0.91 ' O ' HG23 ' A' 1194 ' ' ILE . 0.3 OUTLIER -105.02 165.37 11.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.1 . . . . 0.0 110.288 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1039 ' ' VAL . . . . . 0.501 HG11 HG13 ' A' 1075 ' ' VAL . 1.0 OUTLIER -67.28 128.02 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1040 ' ' MET . . . . . 0.556 ' HB2' ' HB3' ' A' 1195 ' ' ALA . 10.8 tpt -95.7 -42.66 8.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.36 156.42 8.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 1.1 p -122.97 137.48 56.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.0 136.35 41.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.604 1.19 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.514 ' O ' HD23 ' A' 1045 ' ' LEU . 2.6 mt -81.5 124.68 29.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1045 ' ' LEU . . . . . 0.687 ' O ' HD12 ' A' 1188 ' ' LEU . 13.4 mt -136.89 23.32 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1046 ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -125.78 115.88 2.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.84 138.81 56.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.738 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1048 ' ' VAL . . . . . 0.7 HG11 ' CB ' ' A' 1053 ' ' LEU . 2.1 t -116.37 31.7 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -92.33 -15.35 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1050 ' ' THR . . . . . . . . . . . . . 2.1 m -128.14 -36.11 1.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.411 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1051 ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' 1052 ' ' PRO . 26.8 mt -107.14 148.62 37.38 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1052 ' ' PRO . . . . . 0.549 ' O ' HG23 ' A' 1056 ' ' VAL . 18.2 Cg_endo -75.05 133.79 16.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.811 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1053 ' ' LEU . . . . . 0.7 ' CB ' HG11 ' A' 1048 ' ' VAL . 0.7 OUTLIER -76.11 -38.24 57.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -63.6 -47.66 80.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -41.54 87.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 1.189 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' 1052 ' ' PRO . 3.8 t -60.04 -46.51 94.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.382 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1057 ' ' LEU . . . . . 0.509 ' HA ' HG12 ' A' 1060 ' ' VAL . 1.2 mp -65.67 -32.63 74.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.25 79.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1059 ' ' VAL . . . . . 0.795 HG23 ' CD1' ' A' 1090 ' ' TYR . 8.8 p -70.34 -47.26 67.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1060 ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' 1057 ' ' LEU . 0.3 OUTLIER -58.59 -34.06 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1061 ' ' GLY . . . . . 0.476 ' HA2' ' CG2' ' A' 1076 ' ' THR . . . -74.01 -36.44 51.84 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.444 1.09 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1062 ' ' THR . . . . . 0.764 HG21 ' HB2' ' A' 1090 ' ' TYR . 25.8 m -65.29 -35.74 81.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1063 ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' 1067 ' ' SER . . . -84.0 -51.0 7.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1064 ' ' GLU . . . . . 0.543 ' HB2' HG21 ' A' 1076 ' ' THR . 10.9 mt-10 -55.06 -40.86 70.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1065 ' ' ALA . . . . . 0.886 ' O ' HG13 ' A' 1073 ' ' VAL . . . -74.96 -23.21 58.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.379 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1066 ' ' SER . . . . . 0.526 ' O ' ' CZ ' ' A' 1094 ' ' PHE . 40.1 t -109.03 24.02 13.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.942 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1067 ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' 1068 ' ' GLU . 3.5 m -56.63 -27.25 57.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1068 ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' 1067 ' ' SER . 0.2 OUTLIER 86.3 -0.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1069 ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -93.06 137.16 23.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.633 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1070 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 55.27 3.85 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.517 1.798 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1071 ' ' LEU . . . . . 0.773 HD21 ' HA ' ' A' 1038 ' ' ARG . 1.4 tt -176.46 -57.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -58.18 -36.75 83.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.429 1.081 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1073 ' ' VAL . . . . . 0.886 HG13 ' O ' ' A' 1065 ' ' ALA . 58.0 t -63.85 -42.77 96.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -66.95 -34.18 77.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1075 ' ' VAL . . . . . 0.501 HG13 HG11 ' A' 1039 ' ' VAL . 16.3 t -62.01 -48.31 89.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1076 ' ' THR . . . . . 0.543 HG21 ' HB2' ' A' 1064 ' ' GLU . 0.6 OUTLIER -66.36 -43.42 86.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 110.416 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1077 ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' 1078 ' ' TYR . 0.0 OUTLIER -59.49 -36.11 75.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1078 ' ' TYR . . . . . 0.42 ' N ' ' HG3' ' A' 1077 ' ' LYS . 52.3 t80 -66.71 -52.28 46.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -34.07 76.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 108.315 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1080 ' ' LYS . . . . . 0.485 ' CD ' ' O ' ' A' 1085 ' ' THR . 0.1 OUTLIER -62.29 -47.22 85.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.33 -36.46 83.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -21.0 56.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.239 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 9.3 mt -83.52 -24.77 31.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 97.86 20.23 22.04 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1085 ' ' THR . . . . . 0.485 ' O ' ' CD ' ' A' 1080 ' ' LYS . 0.2 OUTLIER -136.78 122.14 19.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 0.799 . . . . 0.0 110.337 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.61 25.78 9.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 110.264 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 92.9 m -139.92 140.75 36.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.423 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1088 ' ' LEU . . . . . 0.624 ' CB ' HG23 ' A' 1062 ' ' THR . 0.1 OUTLIER -112.28 -162.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.215 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 173.46 36.02 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.449 1.093 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1090 ' ' TYR . . . . . 0.795 ' CD1' HG23 ' A' 1059 ' ' VAL . 0.2 OUTLIER -123.49 148.93 45.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.994 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1091 ' ' CYS . . . . . 0.671 ' O ' ' HA ' ' A' 1106 ' ' VAL . 2.2 t -95.62 113.64 25.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 108.285 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1092 ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' 1105 ' ' LYS . 4.7 p -93.2 155.56 17.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1093 ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' 1104 ' ' CYS . 5.0 m-20 -153.63 77.15 1.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1094 ' ' PHE . . . . . 0.526 ' CZ ' ' O ' ' A' 1066 ' ' SER . 13.5 m-85 -73.05 151.8 41.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -162.29 128.88 3.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.157 . . . . 0.0 110.235 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -90.13 126.78 35.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.376 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1097 ' ' VAL . . . . . 0.408 HG23 ' H ' ' A' 1101 ' ' GLY . 0.9 OUTLIER -114.2 124.01 31.58 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.96 30.76 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 66.61 14.81 63.19 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1100 ' ' CYS . . . . . . . . . . . . . 11.9 t -135.08 -75.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1101 ' ' GLY . . . . . 0.408 ' H ' HG23 ' A' 1097 ' ' VAL . . . 162.05 -127.61 1.75 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.462 1.101 . . . . 0.0 111.041 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1102 ' ' ILE . . . . . 0.69 HD12 HD12 ' A' 1148 ' ' ILE . 23.2 pt -129.35 142.49 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -151.16 140.72 8.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.463 1.102 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1104 ' ' CYS . . . . . 0.51 ' SG ' ' CG1' ' A' 1146 ' ' VAL . 18.9 p -136.63 161.13 36.76 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1105 ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' 1092 ' ' THR . 3.3 mptt -119.1 154.25 33.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1106 ' ' VAL . . . . . 0.671 ' HA ' ' O ' ' A' 1091 ' ' CYS . 0.3 OUTLIER -143.26 124.91 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1107 ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' 1108 ' ' ASN . 59.1 p -152.05 136.6 16.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1108 ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' A' 1107 ' ' SER . 2.4 t-20 170.47 -40.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1109 ' ' VAL . . . . . . . . . . . . . 6.7 p -51.61 -21.17 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -65.55 -46.17 80.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.862 0 N-CA-C 110.986 -0.429 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -85.69 115.86 23.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1143 ' ' THR . . . . . . . . . . . . . 1.9 m -121.47 135.17 55.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.461 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -104.97 142.04 35.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1145 ' ' SER . . . . . . . . . . . . . 12.4 t -107.74 130.95 54.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1146 ' ' VAL . . . . . 0.51 ' CG1' ' SG ' ' A' 1104 ' ' CYS . 3.8 t -109.55 138.46 36.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1147 ' ' LEU . . . . . 0.478 HD23 ' CZ2' ' A' 1153 ' ' TRP . 0.2 OUTLIER -128.07 139.1 52.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1148 ' ' ILE . . . . . 0.954 HG23 HG13 ' A' 1182 ' ' VAL . 0.2 OUTLIER -143.34 142.96 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1149 ' ' GLY . . . . . 0.58 ' CA ' ' CE3' ' A' 1153 ' ' TRP . . . 161.81 -171.27 37.71 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1150 ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' 1153 ' ' TRP . 10.0 m120 -75.61 153.86 37.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 0.768 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1151 ' ' ARG . . . . . 0.792 ' HD2' HG22 ' A' 1170 ' ' THR . 51.1 mtt180 -46.36 -34.96 4.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1152 ' ' GLU . . . . . 0.466 ' HB3' ' CA ' ' A' 1167 ' ' ASP . 3.0 pp20? -70.05 -34.56 73.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.356 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1153 ' ' TRP . . . . . 1.069 ' CH2' HD23 ' A' 1154 ' ' LEU . 0.0 OUTLIER -62.52 -52.78 62.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 108.037 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1154 ' ' LEU . . . . . 1.069 HD23 ' CH2' ' A' 1153 ' ' TRP . 0.2 OUTLIER -64.36 -41.49 96.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1155 ' ' ARG . . . . . 0.457 ' HA ' ' CB ' ' A' 1159 ' ' LEU . 2.2 mpt_? -57.48 -46.43 83.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -69.48 -25.85 64.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 20.3 t30 -65.37 -59.13 4.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.352 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . -175.42 58.21 0.11 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.133 . . . . 0.0 110.969 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.53 HD13 HD12 ' A' 1154 ' ' LEU . 0.1 OUTLIER -144.25 141.8 30.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.297 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1160 ' ' THR . . . . . 0.653 HG22 ' H ' ' A' 1161 ' ' ILE . 2.8 m -55.57 -164.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.384 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1161 ' ' ILE . . . . . 0.653 ' H ' HG22 ' A' 1160 ' ' THR . 1.3 mp 63.5 152.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1162 ' ' SER . . . . . . . . . . . . . 40.3 t -76.28 142.25 41.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.411 1.07 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1163 ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.5 OUTLIER -67.58 -34.1 76.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 25.5 t0 -71.43 -40.07 70.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 32.3 t -64.02 -50.98 74.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1166 ' ' SER . . . . . 0.983 ' O ' HG23 ' A' 1170 ' ' THR . 3.5 t -69.37 -33.08 72.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.005 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1167 ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' 1163 ' ' SER . 0.1 OUTLIER -66.88 -42.71 85.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.25 96.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -48.76 75.74 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.149 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1170 ' ' THR . . . . . 0.983 HG23 ' O ' ' A' 1166 ' ' SER . 72.0 p -63.74 -50.69 68.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.365 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1171 ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.3 OUTLIER -57.34 -37.73 73.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 2.4 m170 -59.44 -47.65 84.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.603 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1173 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.32 -36.34 79.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 2.3 ttt -62.92 -10.74 14.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 2.5 mttp -87.12 10.09 17.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -155.4 -56.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1177 ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -127.21 169.72 13.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1178 ' ' THR . . . . . . . . . . . . . 2.0 m -103.34 128.01 50.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 110.45 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -131.58 128.57 39.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1180 ' ' ILE . . . . . 0.513 HD11 ' HB ' ' A' 1192 ' ' ILE . 8.6 pt -132.56 133.57 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1181 ' ' LEU . . . . . 0.462 HD23 ' HG ' ' A' 1154 ' ' LEU . 0.7 OUTLIER -101.77 136.34 41.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1182 ' ' VAL . . . . . 0.954 HG13 HG23 ' A' 1148 ' ' ILE . 1.6 t -122.11 120.92 62.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1183 ' ' ALA . . . . . 0.567 ' HB3' HD21 ' A' 1154 ' ' LEU . . . -118.61 149.55 41.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1184 ' ' ILE . . . . . . . . . . . . . 81.6 mt -109.29 112.82 42.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 32.0 t70 54.6 41.49 31.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 71.67 14.8 75.38 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1187 ' ' VAL . . . . . . . . . . . . . 2.6 t -114.46 154.18 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 109.272 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1188 ' ' LEU . . . . . 0.687 HD12 ' O ' ' A' 1045 ' ' LEU . 0.6 OUTLIER -59.49 142.91 51.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1189 ' ' CYS . . . . . 0.574 ' O ' ' N ' ' A' 1046 ' ' GLY . 1.7 t -144.35 -56.06 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 108.326 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1190 ' ' GLY . . . . . 0.479 ' HA2' ' CB ' ' A' 1045 ' ' LEU . . . 162.72 157.44 9.05 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.454 1.096 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1191 ' ' MET . . . . . 0.485 ' HB3' ' CD1' ' A' 1045 ' ' LEU . 22.3 ptm -119.71 149.13 42.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 110.978 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1192 ' ' ILE . . . . . 0.513 ' HB ' HD11 ' A' 1180 ' ' ILE . 1.1 mp -108.1 130.38 60.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -115.39 123.16 47.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1194 ' ' ILE . . . . . 0.91 HG23 ' O ' ' A' 1038 ' ' ARG . 4.6 mt -110.62 133.0 57.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.456 1.098 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1195 ' ' ALA . . . . . 0.612 ' O ' ' OXT' ' A' 1196 ' ' ASP . . . -140.0 109.54 6.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1196 ' ' ASP . . . . . 0.612 ' OXT' ' O ' ' A' 1195 ' ' ALA . 20.0 t70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1037 ' ' PRO . . . . . 0.51 ' O ' ' CD2' ' A' 1071 ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 110.958 -0.439 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1038 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.38 164.1 15.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.08 . . . . 0.0 110.277 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1039 ' ' VAL . . . . . 0.765 HG11 HG13 ' A' 1075 ' ' VAL . 5.2 p -66.29 134.9 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1040 ' ' MET . . . . . . . . . . . . . 1.4 tmt? -105.85 -42.48 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -167.99 156.6 9.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.347 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 2.6 t -117.04 137.66 50.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.06 140.84 36.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.492 HD11 ' O ' ' A' 1046 ' ' GLY . 1.9 tp -78.76 126.09 30.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1045 ' ' LEU . . . . . 0.768 ' CD2' HD21 ' A' 1181 ' ' LEU . 0.6 OUTLIER -137.56 23.79 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1046 ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -141.79 122.52 2.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 4.0 t0 -105.25 173.79 6.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 0.769 . . . . 0.0 109.375 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1048 ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' 1051 ' ' LEU . 2.4 t -96.06 30.85 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -93.81 -15.34 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 109.281 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1050 ' ' THR . . . . . 0.615 HG21 HG21 ' A' 1187 ' ' VAL . 27.5 m -131.5 -37.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1051 ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' 1051 ' ' LEU . 17.5 mt -155.42 155.08 29.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1052 ' ' PRO . . . . . 0.413 ' HA ' HG13 ' A' 1048 ' ' VAL . 18.4 Cg_endo -75.03 134.56 17.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1053 ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' 1057 ' ' LEU . 5.9 tp -72.56 -25.82 61.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 5.6 mmt-85 -65.35 -50.56 65.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1055 ' ' LYS . . . . . 0.413 ' CG ' ' HG2' ' A' 1052 ' ' PRO . 41.3 mmtt -69.69 -36.97 76.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.457 ' CG1' ' SG ' ' A' 1189 ' ' CYS . 2.4 t -63.1 -43.81 99.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1057 ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' 1053 ' ' LEU . 0.9 OUTLIER -64.9 -35.81 82.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.445 1.09 . . . . 0.0 109.242 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -62.04 -45.59 92.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 0.0 109.355 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1059 ' ' VAL . . . . . 0.942 HG22 ' CG1' ' A' 1106 ' ' VAL . 0.4 OUTLIER -69.53 -48.5 65.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1060 ' ' VAL . . . . . 0.517 ' O ' ' CG ' ' A' 1064 ' ' GLU . 0.4 OUTLIER -57.77 -35.6 51.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1061 ' ' GLY . . . . . . . . . . . . . . . -73.41 -33.51 58.6 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1062 ' ' THR . . . . . 0.677 HG21 ' CG ' ' A' 1090 ' ' TYR . 0.5 OUTLIER -64.68 -41.08 96.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.586 0.815 . . . . 0.0 110.419 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1063 ' ' ALA . . . . . 0.685 ' HB2' HG21 ' A' 1106 ' ' VAL . . . -84.25 -38.7 20.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1064 ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' 1060 ' ' VAL . 5.5 mm-40 -54.74 -37.74 66.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1065 ' ' ALA . . . . . 0.801 ' O ' HG22 ' A' 1073 ' ' VAL . . . -71.61 -23.9 61.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1066 ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' 1067 ' ' SER . 1.1 t -101.37 -1.68 32.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1067 ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' 1063 ' ' ALA . 9.0 p -35.06 118.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1068 ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' 1067 ' ' SER . 0.6 OUTLIER -35.37 -34.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1069 ' ' HIS . . . . . 0.516 ' CD2' ' HD2' ' A' 1070 ' ' PRO . 0.9 OUTLIER -84.01 139.38 39.78 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.568 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1070 ' ' PRO . . . . . 0.516 ' HD2' ' CD2' ' A' 1069 ' ' HIS . 18.3 Cg_endo -75.03 -0.05 9.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.399 1.737 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1071 ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' 1075 ' ' VAL . 1.9 mp -90.31 -56.29 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.376 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -59.11 -28.69 64.33 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1073 ' ' VAL . . . . . 0.801 HG22 ' O ' ' A' 1065 ' ' ALA . 11.0 t -63.07 -51.33 73.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 0.764 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.0 72.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1075 ' ' VAL . . . . . 0.765 HG13 HG11 ' A' 1039 ' ' VAL . 48.9 t -59.05 -52.09 64.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1076 ' ' THR . . . . . 0.795 ' CG2' ' HB2' ' A' 1065 ' ' ALA . 0.4 OUTLIER -66.15 -40.11 90.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.423 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 4.8 tttp -57.47 -41.95 81.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -66.57 -45.75 78.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1079 ' ' CYS . . . . . 0.543 ' O ' HD12 ' A' 1083 ' ' LEU . 0.0 OUTLIER -63.42 -34.66 78.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 108.351 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1080 ' ' LYS . . . . . 0.433 ' NZ ' ' HG2' ' A' 1086 ' ' GLU . 2.5 pttt -66.98 -38.72 86.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.25 -43.67 97.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -78.53 -20.53 50.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.172 . . . . 0.0 110.294 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1083 ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' 1079 ' ' CYS . 6.2 mt -83.17 -23.3 32.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.385 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 76.01 35.74 43.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1085 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.74 122.14 19.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 0.74 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1086 ' ' GLU . . . . . 0.433 ' HG2' ' NZ ' ' A' 1080 ' ' LYS . 3.4 tt0 -103.51 24.05 11.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 1.3 t -49.82 139.06 13.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.389 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1088 ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' 1088 ' ' LEU . 6.7 tp -176.37 115.8 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 155.66 37.96 0.02 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1090 ' ' TYR . . . . . 0.677 ' CG ' HG21 ' A' 1062 ' ' THR . 11.6 m-85 -101.61 159.59 15.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1091 ' ' CYS . . . . . 0.651 ' O ' ' HA ' ' A' 1106 ' ' VAL . 0.5 OUTLIER -99.21 112.26 24.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 108.265 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1092 ' ' THR . . . . . 0.476 HG22 HG22 ' A' 1106 ' ' VAL . 44.5 p -94.47 160.37 14.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 1.7 t70 -156.36 75.31 0.86 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1094 ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -72.64 143.83 48.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -159.17 132.66 7.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.34 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -89.67 124.15 34.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.08 124.15 31.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 143.72 29.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.509 1.794 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 74.98 7.23 81.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1100 ' ' CYS . . . . . 0.55 ' HB3' ' CZ2' ' A' 1153 ' ' TRP . 87.6 m -132.24 -75.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 157.28 -123.91 1.35 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.556 1.16 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1102 ' ' ILE . . . . . 0.625 HD11 ' HB ' ' A' 1148 ' ' ILE . 15.7 pt -115.08 136.88 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -138.74 120.16 1.89 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.556 1.16 . . . . 0.0 110.973 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1104 ' ' CYS . . . . . . . . . . . . . 7.5 p -127.9 140.87 51.75 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1105 ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' 1092 ' ' THR . 2.0 mttt -106.34 152.79 23.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1106 ' ' VAL . . . . . 0.942 ' CG1' HG22 ' A' 1059 ' ' VAL . 10.6 t -144.71 136.58 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1107 ' ' SER . . . . . 0.71 ' HB3' HG23 ' A' 1143 ' ' THR . 4.1 p -149.27 151.24 33.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.941 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1108 ' ' ASN . . . . . 0.557 ' HB3' ' CD2' ' A' 1090 ' ' TYR . 4.8 t30 153.78 -20.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1109 ' ' VAL . . . . . . . . . . . . . 12.2 m -44.47 -31.49 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -53.93 -46.93 71.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -91.55 142.33 27.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1143 ' ' THR . . . . . 0.71 HG23 ' HB3' ' A' 1107 ' ' SER . 53.1 m -117.23 134.51 54.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.403 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -108.57 141.54 40.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1145 ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' 1185 ' ' ASP . 54.1 p -102.01 130.45 48.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.956 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1146 ' ' VAL . . . . . 0.485 HG22 HG13 ' A' 1184 ' ' ILE . 96.4 t -117.92 138.62 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.57 139.39 53.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1148 ' ' ILE . . . . . 0.85 HG23 HG22 ' A' 1182 ' ' VAL . 0.6 OUTLIER -138.87 157.3 29.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 162.11 -166.37 36.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.145 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 12.2 m120 -67.6 146.33 53.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 0.808 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1151 ' ' ARG . . . . . 0.653 HH21 HH12 ' A' 1155 ' ' ARG . 48.9 mtp180 -51.43 -26.8 8.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1152 ' ' GLU . . . . . 0.614 ' H ' HG21 ' A' 1170 ' ' THR . 0.7 OUTLIER -68.23 -43.04 78.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1153 ' ' TRP . . . . . 0.587 ' CE3' ' O ' ' A' 1153 ' ' TRP . 0.9 OUTLIER -58.79 -52.27 66.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 107.995 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1154 ' ' LEU . . . . . 0.438 ' HG ' HD23 ' A' 1181 ' ' LEU . 3.2 mm? -61.27 -38.27 86.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.407 1.067 . . . . 0.0 109.36 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1155 ' ' ARG . . . . . 0.653 HH12 HH21 ' A' 1151 ' ' ARG . 2.8 mpt_? -57.01 -49.08 76.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.227 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -72.52 -22.02 61.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 62.4 t30 -62.43 -59.23 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . -174.38 56.56 0.13 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.451 ' CB ' ' HA ' ' A' 1155 ' ' ARG . 0.0 OUTLIER -132.79 -160.15 1.02 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 0.763 . . . . 0.0 109.254 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1160 ' ' THR . . . . . 0.663 HG22 ' H ' ' A' 1161 ' ' ILE . 2.8 m -110.56 -165.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.417 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1161 ' ' ILE . . . . . 0.663 ' H ' HG22 ' A' 1160 ' ' THR . 19.6 mm 65.04 153.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1162 ' ' SER . . . . . . . . . . . . . 39.9 t -72.47 144.71 47.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 44.2 m -65.54 -36.01 82.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 1.4 t0 -70.5 -39.38 74.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 41.5 t -68.18 -48.63 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1166 ' ' SER . . . . . 1.009 ' O ' HG23 ' A' 1170 ' ' THR . 7.1 t -67.33 -34.32 77.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.986 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1167 ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.8 -45.42 89.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -70.19 -34.44 72.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 109.238 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 6.9 mtm -65.82 -48.52 71.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 111.001 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1170 ' ' THR . . . . . 1.009 HG23 ' O ' ' A' 1166 ' ' SER . 65.0 p -64.52 -52.32 58.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1171 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -44.43 89.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -54.09 -47.77 71.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.628 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1173 ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' 1177 ' ' GLN . 3.6 mm-40 -57.46 -37.21 72.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 2.7 ttp -61.84 -11.1 11.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.48 10.46 17.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -159.45 -56.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1177 ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' 1173 ' ' GLU . 19.2 mp0 -125.8 174.87 8.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 110.219 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1178 ' ' THR . . . . . 0.524 ' HB ' ' CG1' ' A' 1194 ' ' ILE . 1.3 m -124.22 119.89 30.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -132.75 128.35 36.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.597 1.185 . . . . 0.0 109.261 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1180 ' ' ILE . . . . . 0.464 HG13 HG22 ' A' 1192 ' ' ILE . 20.0 pt -130.67 147.37 33.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1181 ' ' LEU . . . . . 0.768 HD21 ' CD2' ' A' 1045 ' ' LEU . 0.5 OUTLIER -101.41 142.08 33.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1182 ' ' VAL . . . . . 0.85 HG22 HG23 ' A' 1148 ' ' ILE . 3.9 t -120.58 121.09 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1183 ' ' ALA . . . . . . . . . . . . . . . -116.85 149.98 39.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1184 ' ' ILE . . . . . 0.642 ' O ' HG12 ' A' 1187 ' ' VAL . 1.2 mp -107.63 111.81 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1185 ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' 1145 ' ' SER . 0.7 OUTLIER 52.4 43.99 30.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 71.09 14.93 74.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1187 ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' 1184 ' ' ILE . 0.4 OUTLIER -112.39 153.91 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.236 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1188 ' ' LEU . . . . . 0.552 ' HG ' HD23 ' A' 1045 ' ' LEU . 0.6 OUTLIER -61.8 144.1 55.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1189 ' ' CYS . . . . . 0.521 ' CB ' HD13 ' A' 1184 ' ' ILE . 1.5 t -144.88 -66.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 108.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1190 ' ' GLY . . . . . 0.559 ' HA2' ' CB ' ' A' 1045 ' ' LEU . . . 170.95 157.88 13.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1191 ' ' MET . . . . . 0.633 ' HB3' HD12 ' A' 1181 ' ' LEU . 1.2 ppp? -118.58 148.74 42.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1192 ' ' ILE . . . . . 0.489 HD11 HG21 ' A' 1039 ' ' VAL . 3.3 tt -108.34 134.21 50.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -121.12 117.69 27.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1194 ' ' ILE . . . . . 0.524 ' CG1' ' HB ' ' A' 1178 ' ' THR . 3.9 pt -109.82 130.97 62.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1195 ' ' ALA . . . . . 0.571 ' O ' ' OXT' ' A' 1196 ' ' ASP . . . -140.06 110.97 6.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1196 ' ' ASP . . . . . 0.571 ' OXT' ' O ' ' A' 1195 ' ' ALA . 19.3 t70 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1037 ' ' PRO . . . . . 0.942 ' HB2' HD11 ' A' 1194 ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1038 ' ' ARG . . . . . 0.839 ' HA ' HD13 ' A' 1071 ' ' LEU . 4.2 mpt_? -135.95 163.13 30.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1039 ' ' VAL . . . . . . . . . . . . . 9.8 p -68.67 137.41 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1040 ' ' MET . . . . . 0.523 ' O ' ' CG ' ' A' 1041 ' ' ARG . 6.9 tpt -100.84 -42.61 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1041 ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' 1040 ' ' MET . 32.5 mtt180 -164.96 157.36 15.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 0.0 110.22 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 2.4 t -129.84 137.13 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.78 138.9 50.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.664 ' O ' HD12 ' A' 1045 ' ' LEU . 3.1 tp -79.43 136.69 37.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1045 ' ' LEU . . . . . 0.682 ' O ' HD12 ' A' 1188 ' ' LEU . 0.7 OUTLIER -145.17 23.95 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1046 ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -122.85 114.89 2.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.586 1.179 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.97 141.86 48.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1048 ' ' VAL . . . . . 0.63 HG11 ' HB2' ' A' 1053 ' ' LEU . 4.9 t -131.04 30.08 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -92.63 -15.56 26.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.376 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1050 ' ' THR . . . . . . . . . . . . . 6.2 m -131.97 -36.46 1.18 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1051 ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' 1052 ' ' PRO . 6.1 mp -99.92 146.63 32.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1052 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 1051 ' ' LEU . 18.4 Cg_endo -75.02 134.43 17.77 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1053 ' ' LEU . . . . . 0.63 ' HB2' HG11 ' A' 1048 ' ' VAL . 7.5 tp -77.18 -35.11 56.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -65.21 -45.3 85.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 110.265 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -50.53 56.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1056 ' ' VAL . . . . . . . . . . . . . 7.9 t -57.8 -41.51 79.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1057 ' ' LEU . . . . . 0.41 ' O ' HG12 ' A' 1060 ' ' VAL . 31.8 tp -64.81 -35.23 80.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.7 92.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1059 ' ' VAL . . . . . 0.446 ' O ' HG22 ' A' 1062 ' ' THR . 43.1 t -68.69 -47.6 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.376 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1060 ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' 1057 ' ' LEU . 0.4 OUTLIER -56.79 -38.79 60.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1061 ' ' GLY . . . . . 0.491 ' HA2' ' CG2' ' A' 1076 ' ' THR . . . -73.82 -33.59 57.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1062 ' ' THR . . . . . 0.776 HG21 ' CG ' ' A' 1090 ' ' TYR . 0.5 OUTLIER -62.75 -40.37 97.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 110.439 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1063 ' ' ALA . . . . . 0.733 ' HB2' HG11 ' A' 1106 ' ' VAL . . . -84.72 -44.66 13.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1064 ' ' GLU . . . . . 0.545 ' HB2' HG21 ' A' 1076 ' ' THR . 3.0 mm-40 -55.32 -45.49 76.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1065 ' ' ALA . . . . . 0.652 ' HB2' ' HB ' ' A' 1076 ' ' THR . . . -76.48 -22.45 54.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1066 ' ' SER . . . . . . . . . . . . . 8.5 t -108.77 27.4 9.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1067 ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' 1063 ' ' ALA . 0.4 OUTLIER -78.51 -30.15 46.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.026 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1068 ' ' GLU . . . . . . . . . . . . . 3.4 tt0 77.38 21.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.088 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1069 ' ' HIS . . . . . 0.5 ' CG ' ' HD2' ' A' 1070 ' ' PRO . 13.1 t-80 -90.68 142.55 27.96 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.598 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1070 ' ' PRO . . . . . 0.5 ' HD2' ' CG ' ' A' 1069 ' ' HIS . 18.3 Cg_endo -75.02 56.13 4.17 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.455 1.766 . . . . 0.0 110.961 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1071 ' ' LEU . . . . . 0.839 HD13 ' HA ' ' A' 1038 ' ' ARG . 0.1 OUTLIER 165.41 -52.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -58.34 -35.73 80.2 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1073 ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' 1065 ' ' ALA . 0.3 OUTLIER -64.68 -47.97 86.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1074 ' ' ALA . . . . . 0.481 ' N ' ' CG1' ' A' 1073 ' ' VAL . . . -67.01 -33.81 76.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1075 ' ' VAL . . . . . 0.425 HG23 HD12 ' A' 1071 ' ' LEU . 2.4 t -59.32 -49.32 83.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1076 ' ' THR . . . . . 0.652 ' HB ' ' HB2' ' A' 1065 ' ' ALA . 0.2 OUTLIER -69.01 -42.64 76.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.432 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -57.15 -42.0 80.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -46.13 76.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1079 ' ' CYS . . . . . 0.677 ' O ' HD12 ' A' 1083 ' ' LEU . 0.1 OUTLIER -61.34 -35.65 78.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 108.342 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 8.9 mttp -66.7 -39.91 88.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.403 1.065 . . . . 0.0 109.333 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.44 -42.55 98.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -78.09 -21.63 50.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.221 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1083 ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' 1079 ' ' CYS . 5.0 mt -83.39 -22.43 32.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 77.84 30.94 50.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1085 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.98 122.12 19.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 110.439 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -102.84 23.37 12.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 60.7 m -50.88 136.76 22.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1088 ' ' LEU . . . . . . . . . . . . . 3.7 tp -177.76 113.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 169.18 37.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1090 ' ' TYR . . . . . 0.776 ' CG ' HG21 ' A' 1062 ' ' THR . 0.2 OUTLIER -101.53 160.33 14.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 0.781 . . . . 0.0 110.984 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1091 ' ' CYS . . . . . 0.688 ' O ' ' HA ' ' A' 1106 ' ' VAL . 8.6 t -96.46 113.15 24.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 108.396 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1092 ' ' THR . . . . . . . . . . . . . 45.1 p -93.93 152.16 19.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.606 1.191 . . . . 0.0 110.374 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.92 75.43 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1094 ' ' PHE . . . . . . . . . . . . . 18.0 p90 -73.64 147.08 44.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -159.58 138.3 10.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 110.301 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -109.26 129.41 55.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.355 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 44.5 t -114.9 124.47 30.34 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 142.71 28.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.798 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 76.06 11.73 84.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1100 ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -138.37 -74.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 165.97 -132.61 2.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1102 ' ' ILE . . . . . 0.575 HD12 ' N ' ' A' 1102 ' ' ILE . 0.4 OUTLIER -134.78 163.13 37.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -170.58 155.27 24.58 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.433 1.083 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1104 ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' 1105 ' ' LYS . 7.0 t -142.74 153.12 43.02 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1105 ' ' LYS . . . . . 0.437 ' N ' ' SG ' ' A' 1104 ' ' CYS . 0.0 OUTLIER -116.15 154.74 29.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1106 ' ' VAL . . . . . 0.733 HG11 ' HB2' ' A' 1063 ' ' ALA . 0.0 OUTLIER -143.04 126.79 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1107 ' ' SER . . . . . 0.541 ' HB3' HG23 ' A' 1143 ' ' THR . 6.3 p -150.67 136.5 18.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.17 . . . . 0.0 110.012 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1108 ' ' ASN . . . . . 0.496 ' HB2' ' HA ' ' A' 1090 ' ' TYR . 0.1 OUTLIER 165.6 -27.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.062 . . . . 0.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1109 ' ' VAL . . . . . 0.504 ' CG1' ' OH ' ' A' 1090 ' ' TYR . 3.4 p -44.23 -29.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.43 -46.35 76.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1111 ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' 1108 ' ' ASN . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 111.067 -0.397 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -71.75 110.41 6.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1143 ' ' THR . . . . . 0.541 HG23 ' HB3' ' A' 1107 ' ' SER . 1.9 m -107.28 134.23 50.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.441 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -106.0 140.62 38.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1145 ' ' SER . . . . . . . . . . . . . 47.2 p -110.47 128.98 55.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1146 ' ' VAL . . . . . 0.596 HG22 HD12 ' A' 1184 ' ' ILE . 46.0 t -121.27 140.7 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1147 ' ' LEU . . . . . 0.748 HD13 ' H ' ' A' 1186 ' ' GLY . 0.3 OUTLIER -127.82 148.26 50.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1148 ' ' ILE . . . . . 0.956 HG23 HG13 ' A' 1182 ' ' VAL . 0.3 OUTLIER -141.32 156.79 21.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.59 1.181 . . . . 0.0 109.249 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1149 ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' 1153 ' ' TRP . . . 160.42 -174.29 37.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1150 ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' 1153 ' ' TRP . 14.9 t-20 -69.65 152.8 44.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1151 ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' 1155 ' ' ARG . 13.5 mtp180 -45.37 -34.88 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1152 ' ' GLU . . . . . 0.481 ' CB ' ' HB2' ' A' 1167 ' ' ASP . 1.0 OUTLIER -69.67 -35.08 74.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1153 ' ' TRP . . . . . 1.153 ' CH2' HD23 ' A' 1154 ' ' LEU . 0.0 OUTLIER -61.11 -53.38 57.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.0 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1154 ' ' LEU . . . . . 1.153 HD23 ' CH2' ' A' 1153 ' ' TRP . 0.2 OUTLIER -64.75 -41.57 95.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1155 ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' 1160 ' ' THR . 0.7 OUTLIER -55.27 -47.9 74.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -25.06 62.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -62.32 -49.72 74.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.353 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 164.87 57.66 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.442 1.089 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.481 HD22 ' H ' ' A' 1160 ' ' THR . 0.5 OUTLIER -124.43 -162.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 0.719 . . . . 0.0 109.256 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1160 ' ' THR . . . . . 0.535 HG22 ' H ' ' A' 1161 ' ' ILE . 2.6 m -109.29 -178.09 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1161 ' ' ILE . . . . . 0.535 ' H ' HG22 ' A' 1160 ' ' THR . 15.1 mm 64.41 162.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1162 ' ' SER . . . . . 0.457 ' N ' ' CG2' ' A' 1161 ' ' ILE . 38.0 t -75.72 141.68 42.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1163 ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.6 OUTLIER -68.55 -34.25 75.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -38.93 71.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1165 ' ' VAL . . . . . 0.444 ' CG2' ' HB3' ' A' 1162 ' ' SER . 30.8 t -62.55 -51.98 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1166 ' ' SER . . . . . . . . . . . . . 3.5 t -70.87 -33.75 70.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1167 ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' 1163 ' ' SER . 8.0 t0 -63.65 -42.57 98.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -66.98 -42.62 84.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 109.228 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 1.1 tpt -59.93 -51.28 70.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1170 ' ' THR . . . . . 0.456 ' CG2' ' ND2' ' A' 1150 ' ' ASN . 17.3 m -67.0 -40.25 87.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.468 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1171 ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.5 OUTLIER -57.89 -46.78 84.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.249 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.35 -44.23 92.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1173 ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.17 -36.4 70.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.387 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 8.0 ttt -63.48 -10.46 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 1.7 tttt -84.71 8.3 17.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -155.23 -55.01 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.407 1.067 . . . . 0.0 111.055 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1177 ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -126.18 159.24 33.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 0.76 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1178 ' ' THR . . . . . 0.724 ' HB ' HG23 ' A' 1194 ' ' ILE . 1.0 OUTLIER -94.82 120.36 34.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -112.61 127.87 56.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1180 ' ' ILE . . . . . . . . . . . . . 4.5 pt -138.44 130.31 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1181 ' ' LEU . . . . . . . . . . . . . 2.7 tt -101.24 140.7 35.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1182 ' ' VAL . . . . . 0.956 HG13 HG23 ' A' 1148 ' ' ILE . 3.1 t -119.09 119.7 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1183 ' ' ALA . . . . . 0.665 ' HB3' HD21 ' A' 1154 ' ' LEU . . . -118.01 149.61 40.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1184 ' ' ILE . . . . . 0.596 HD12 HG22 ' A' 1146 ' ' VAL . 0.5 OUTLIER -109.89 115.59 50.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 15.8 t0 56.84 39.49 29.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1186 ' ' GLY . . . . . 0.748 ' H ' HD13 ' A' 1147 ' ' LEU . . . 71.68 15.03 75.49 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1187 ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' 1184 ' ' ILE . 2.1 t -116.68 154.63 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1188 ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' 1045 ' ' LEU . 0.7 OUTLIER -59.83 144.84 47.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1189 ' ' CYS . . . . . 0.581 ' O ' ' N ' ' A' 1046 ' ' GLY . 3.1 t -147.25 -57.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 108.277 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1190 ' ' GLY . . . . . 0.448 ' HA2' ' HB2' ' A' 1045 ' ' LEU . . . 179.47 157.01 19.02 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1191 ' ' MET . . . . . . . . . . . . . 33.9 ttp -121.05 143.78 48.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1192 ' ' ILE . . . . . . . . . . . . . 2.0 mm -109.21 135.25 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -125.37 122.35 36.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1194 ' ' ILE . . . . . 0.942 HD11 ' HB2' ' A' 1037 ' ' PRO . 0.5 OUTLIER -117.78 141.2 37.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1195 ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' 1040 ' ' MET . . . -125.37 104.11 8.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 9.2 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.244 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.068 -0.397 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1038 ' ' ARG . . . . . 0.918 ' HA ' HD13 ' A' 1071 ' ' LEU . 0.0 OUTLIER -136.25 163.32 30.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1039 ' ' VAL . . . . . . . . . . . . . 4.4 p -68.18 136.25 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1040 ' ' MET . . . . . 0.688 ' CG ' ' HB3' ' A' 1195 ' ' ALA . 0.0 OUTLIER -93.51 -44.21 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.49 157.05 8.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.239 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.17 138.65 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.77 150.5 39.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.901 ' O ' HD22 ' A' 1045 ' ' LEU . 3.1 tp -78.19 135.29 37.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1045 ' ' LEU . . . . . 0.901 HD22 ' O ' ' A' 1044 ' ' LEU . 1.5 mm? -143.12 24.47 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1046 ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -132.04 118.64 2.33 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.555 1.159 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.04 143.42 30.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.612 0.831 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1048 ' ' VAL . . . . . 0.717 HG12 ' O ' ' A' 1048 ' ' VAL . 81.2 t -91.1 26.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -94.01 -5.3 47.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 0.0 109.256 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1050 ' ' THR . . . . . 0.679 ' O ' HD12 ' A' 1051 ' ' LEU . 3.3 m -116.56 -35.08 4.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.374 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1051 ' ' LEU . . . . . 0.702 HD23 ' HD2' ' A' 1052 ' ' PRO . 0.1 OUTLIER -161.53 172.46 5.66 Favored Pre-proline 0 C--N 1.327 -0.408 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1052 ' ' PRO . . . . . 0.702 ' HD2' HD23 ' A' 1051 ' ' LEU . 18.3 Cg_endo -75.0 133.21 16.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.779 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 4.1 tp -71.06 -26.87 63.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1054 ' ' ARG . . . . . 0.465 ' CB ' ' HE2' ' A' 1055 ' ' LYS . 11.1 mmt180 -63.34 -47.69 81.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1055 ' ' LYS . . . . . 0.493 ' CG ' ' HG2' ' A' 1052 ' ' PRO . 3.4 mmtt -71.28 -36.92 71.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.404 ' O ' HG12 ' A' 1059 ' ' VAL . 3.3 t -61.93 -46.2 97.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.05 -35.76 82.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1058 ' ' ALA . . . . . 0.409 ' O ' ' HB ' ' A' 1062 ' ' THR . . . -61.07 -47.21 87.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1059 ' ' VAL . . . . . 0.694 HG21 ' HD2' ' A' 1144 ' ' PHE . 0.4 OUTLIER -69.89 -41.33 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1060 ' ' VAL . . . . . 0.414 ' O ' ' CG ' ' A' 1064 ' ' GLU . 3.4 t -59.84 -39.35 79.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.225 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1061 ' ' GLY . . . . . 0.502 ' HA2' ' CG2' ' A' 1076 ' ' THR . . . -74.85 -35.8 49.36 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1062 ' ' THR . . . . . 0.853 ' CG2' HG21 ' A' 1106 ' ' VAL . 0.6 OUTLIER -62.73 -39.24 93.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.413 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1063 ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' 1067 ' ' SER . . . -84.35 -46.3 11.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.369 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1064 ' ' GLU . . . . . 0.648 ' HB2' HG21 ' A' 1076 ' ' THR . 51.9 mm-40 -54.91 -44.74 74.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1065 ' ' ALA . . . . . 0.686 ' O ' HG22 ' A' 1073 ' ' VAL . . . -75.88 -22.31 56.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1066 ' ' SER . . . . . . . . . . . . . 21.0 t -114.23 33.19 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.922 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1067 ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' 1063 ' ' ALA . 38.0 m -82.9 -104.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1068 ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' 1067 ' ' SER . 0.1 OUTLIER 164.51 44.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.239 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1069 ' ' HIS . . . . . 0.424 ' HA ' ' HD3' ' A' 1070 ' ' PRO . 16.5 t60 -123.89 134.49 25.4 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.552 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1070 ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' 1069 ' ' HIS . 18.1 Cg_endo -75.08 55.81 4.1 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1071 ' ' LEU . . . . . 0.918 HD13 ' HA ' ' A' 1038 ' ' ARG . 0.1 OUTLIER 172.08 -49.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1072 ' ' GLY . . . . . 0.45 ' N ' ' HG ' ' A' 1071 ' ' LEU . . . -63.15 -47.6 86.88 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.542 1.151 . . . . 0.0 111.058 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1073 ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' 1065 ' ' ALA . 0.4 OUTLIER -60.95 -42.36 92.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -67.37 -35.53 79.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1075 ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' 1071 ' ' LEU . 2.4 t -61.64 -43.01 96.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1076 ' ' THR . . . . . 0.648 HG21 ' HB2' ' A' 1064 ' ' GLU . 0.2 OUTLIER -67.17 -45.28 77.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.392 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -47.24 80.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -41.1 97.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1079 ' ' CYS . . . . . 0.575 ' O ' HD12 ' A' 1083 ' ' LEU . 0.5 OUTLIER -63.95 -36.85 85.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 108.285 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1080 ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' 1085 ' ' THR . 0.0 OUTLIER -64.09 -42.9 96.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -62.93 -39.14 93.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 110.364 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.56 -21.49 48.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.152 . . . . 0.0 110.334 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1083 ' ' LEU . . . . . 0.575 HD12 ' O ' ' A' 1079 ' ' CYS . 4.1 mt -83.48 -23.13 32.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 86.2 25.76 35.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.048 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1085 ' ' THR . . . . . 0.515 ' O ' ' CG ' ' A' 1080 ' ' LYS . 0.2 OUTLIER -136.82 122.42 19.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.544 0.79 . . . . 0.0 110.413 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.23 23.92 13.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 86.9 m -65.95 149.94 49.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.604 1.19 . . . . 0.0 110.388 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1088 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 179.58 118.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 175.28 36.69 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1090 ' ' TYR . . . . . 0.8 ' OH ' HG12 ' A' 1109 ' ' VAL . 1.5 m-85 -98.26 160.4 14.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1091 ' ' CYS . . . . . 0.616 ' O ' ' HA ' ' A' 1106 ' ' VAL . 1.6 t -97.7 113.26 24.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.097 . . . . 0.0 108.307 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1092 ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' 1105 ' ' LYS . 16.9 p -94.72 162.03 13.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.422 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1093 ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' 1104 ' ' CYS . 0.8 OUTLIER -158.21 76.36 0.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 1.176 . . . . 0.0 109.323 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1094 ' ' PHE . . . . . 0.489 ' HA ' ' CB ' ' A' 1104 ' ' CYS . 6.5 p90 -74.39 168.12 20.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 179.28 125.47 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -95.45 123.2 38.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 44.5 t -109.83 123.86 35.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 135.65 19.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.515 1.797 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 77.54 16.17 80.57 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.41 1.068 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1100 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -137.82 -71.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 158.77 -139.13 6.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 47.6 pt -122.15 138.66 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1103 ' ' GLY . . . . . 0.451 ' HA3' HD12 ' A' 1147 ' ' LEU . . . -141.89 153.15 24.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1104 ' ' CYS . . . . . 0.489 ' CB ' ' HA ' ' A' 1094 ' ' PHE . 31.0 p -156.72 156.1 32.79 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1105 ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' 1092 ' ' THR . 16.6 mttt -123.47 151.93 42.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1106 ' ' VAL . . . . . 0.853 HG21 ' CG2' ' A' 1062 ' ' THR . 15.0 p -145.59 127.49 8.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1107 ' ' SER . . . . . 0.545 ' O ' ' ND2' ' A' 1108 ' ' ASN . 37.2 t -151.06 136.13 17.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1108 ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' 1107 ' ' SER . 0.6 OUTLIER 154.75 41.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1109 ' ' VAL . . . . . 0.8 HG12 ' OH ' ' A' 1090 ' ' TYR . 0.6 OUTLIER -83.91 -30.98 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -44.44 95.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.235 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.435 1.084 . . . . 0.0 111.022 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -84.13 127.79 34.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1143 ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' 1107 ' ' SER . 1.2 m -108.39 134.52 51.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1144 ' ' PHE . . . . . 0.694 ' HD2' HG21 ' A' 1059 ' ' VAL . 29.9 m-85 -110.04 142.11 41.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1145 ' ' SER . . . . . . . . . . . . . 95.0 p -115.95 129.02 56.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.028 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1146 ' ' VAL . . . . . 0.411 ' O ' HD13 ' A' 1147 ' ' LEU . 11.8 t -117.96 120.64 65.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1147 ' ' LEU . . . . . 0.57 HD22 ' N ' ' A' 1147 ' ' LEU . 0.4 OUTLIER -114.88 150.8 35.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1148 ' ' ILE . . . . . 0.686 ' N ' HD12 ' A' 1148 ' ' ILE . 0.1 OUTLIER -141.69 154.79 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1149 ' ' GLY . . . . . 0.562 ' HA3' ' CD2' ' A' 1153 ' ' TRP . . . 164.68 -174.86 40.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1150 ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' 1153 ' ' TRP . 7.3 m-80 -73.64 159.6 32.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1151 ' ' ARG . . . . . 0.475 HH21 ' HG3' ' A' 1173 ' ' GLU . 49.1 mtt-85 -47.07 -35.21 6.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.235 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1152 ' ' GLU . . . . . 0.463 ' OE2' ' CZ ' ' A' 1156 ' ' ARG . 1.8 tt0 -70.29 -36.08 74.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1153 ' ' TRP . . . . . 1.063 ' CH2' HD13 ' A' 1154 ' ' LEU . 0.0 OUTLIER -58.75 -54.41 47.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.015 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1154 ' ' LEU . . . . . 1.063 HD13 ' CH2' ' A' 1153 ' ' TRP . 1.1 tp -60.07 -39.19 85.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1155 ' ' ARG . . . . . 0.43 ' HA ' ' CB ' ' A' 1159 ' ' LEU . 16.6 tpt85 -56.8 -50.61 71.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.592 1.183 . . . . 0.0 110.357 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1156 ' ' ARG . . . . . 0.463 ' CZ ' ' OE2' ' A' 1152 ' ' GLU . 5.6 mtm-85 -66.95 -25.51 66.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 6.6 t30 -68.83 -39.2 80.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 147.53 61.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.43 ' CB ' ' HA ' ' A' 1155 ' ' ARG . 0.2 OUTLIER -120.27 -165.2 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 0.726 . . . . 0.0 109.28 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1160 ' ' THR . . . . . 0.644 HG22 ' H ' ' A' 1161 ' ' ILE . 2.5 m -114.12 -167.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.347 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1161 ' ' ILE . . . . . 0.644 ' H ' HG22 ' A' 1160 ' ' THR . 1.0 OUTLIER 67.51 159.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.346 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1162 ' ' SER . . . . . 0.456 ' HB3' ' CG2' ' A' 1165 ' ' VAL . 35.2 t -69.08 144.31 53.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.941 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1163 ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.2 OUTLIER -66.24 -35.79 81.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.77 -39.77 69.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1165 ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' 1162 ' ' SER . 54.5 t -65.72 -49.35 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1166 ' ' SER . . . . . . . . . . . . . 4.8 t -69.03 -37.02 78.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.179 . . . . 0.0 109.945 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1167 ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' 1163 ' ' SER . 11.8 t0 -66.04 -39.58 90.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1168 ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' 1172 ' ' HIS . . . -69.99 -40.5 75.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -49.3 73.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1170 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -43.95 97.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1171 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.64 -40.84 96.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.609 1.193 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1172 ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' 1168 ' ' ALA . 0.3 OUTLIER -54.64 -48.11 72.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.619 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1173 ' ' GLU . . . . . 0.475 ' HG3' HH21 ' A' 1151 ' ' ARG . 19.5 mm-40 -57.39 -46.62 83.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 1.3 ttm -64.09 -9.33 15.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.84 10.17 16.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -158.47 -57.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1177 ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' 1173 ' ' GLU . 57.5 mt-30 -125.94 174.73 8.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 110.25 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1178 ' ' THR . . . . . . . . . . . . . 3.6 m -96.27 119.3 34.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.362 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -114.26 127.6 55.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1180 ' ' ILE . . . . . . . . . . . . . 10.2 pt -144.12 130.69 16.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1181 ' ' LEU . . . . . 0.425 ' HG ' ' CB ' ' A' 1191 ' ' MET . 0.0 OUTLIER -108.26 143.66 36.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1182 ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' 1190 ' ' GLY . 1.5 m -119.65 123.12 70.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1183 ' ' ALA . . . . . 0.843 ' HB2' HD21 ' A' 1154 ' ' LEU . . . -116.65 150.33 38.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1184 ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' 1184 ' ' ILE . 1.4 tt -109.12 113.69 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 27.6 t0 56.52 39.8 29.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 0.0 109.239 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.71 15.61 77.88 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1187 ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' 1184 ' ' ILE . 2.1 t -116.55 154.82 18.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1188 ' ' LEU . . . . . 0.763 HD21 ' CD1' ' A' 1045 ' ' LEU . 0.4 OUTLIER -59.38 143.69 48.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1189 ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' 1046 ' ' GLY . 1.7 t -144.54 -67.31 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 108.369 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1190 ' ' GLY . . . . . 0.486 ' HA2' ' HB2' ' A' 1045 ' ' LEU . . . -169.57 160.6 33.82 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.426 1.079 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1191 ' ' MET . . . . . 0.425 ' CB ' ' HG ' ' A' 1181 ' ' LEU . 5.7 ptm -124.39 140.87 52.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 0.742 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1192 ' ' ILE . . . . . . . . . . . . . 37.1 mt -109.42 134.98 49.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -122.67 118.98 29.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1194 ' ' ILE . . . . . . . . . . . . . 3.0 mt -106.53 140.25 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1195 ' ' ALA . . . . . 0.688 ' HB3' ' CG ' ' A' 1040 ' ' MET . . . -141.03 103.21 4.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.606 1.191 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1196 ' ' ASP . . . . . 0.96 ' OXT' ' OD1' ' A' 1196 ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.862 0 N-CA-C 110.939 -0.447 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1038 ' ' ARG . . . . . 0.42 ' HB3' HD12 ' A' 1071 ' ' LEU . 0.5 OUTLIER -135.33 162.94 31.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1039 ' ' VAL . . . . . 0.811 HG21 HG21 ' A' 1075 ' ' VAL . 1.0 OUTLIER -69.73 131.63 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.234 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1040 ' ' MET . . . . . 0.685 ' HB2' ' HB3' ' A' 1195 ' ' ALA . 1.1 ttt -100.75 -43.55 6.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 2.0 ptt85 -169.37 156.72 7.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.327 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 1.7 p -120.06 139.26 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.51 150.62 40.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 18.1 tp -76.51 140.06 41.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1045 ' ' LEU . . . . . 0.552 ' O ' ' CB ' ' A' 1188 ' ' LEU . 1.5 tp -144.45 23.32 1.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1046 ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -85.21 -145.97 8.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.148 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 8.1 t0 -179.54 174.38 0.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 0.787 . . . . 0.0 109.263 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1048 ' ' VAL . . . . . . . . . . . . . 3.0 t -87.71 45.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1049 ' ' ALA . . . . . 0.532 ' O ' ' CB ' ' A' 1050 ' ' THR . . . -79.4 6.35 10.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1050 ' ' THR . . . . . 0.532 ' CB ' ' O ' ' A' 1049 ' ' ALA . 2.5 m 84.53 6.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.455 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1051 ' ' LEU . . . . . 0.449 HD23 ' HB3' ' A' 1049 ' ' ALA . 2.5 pp -80.9 138.53 49.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1052 ' ' PRO . . . . . 0.457 ' HG2' ' CB ' ' A' 1055 ' ' LYS . 18.2 Cg_endo -74.98 132.16 15.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.06 -40.37 62.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 109.36 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -62.27 -40.91 97.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1055 ' ' LYS . . . . . 0.457 ' CB ' ' HG2' ' A' 1052 ' ' PRO . 0.0 OUTLIER -66.62 -50.14 63.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' 1060 ' ' VAL . 0.4 OUTLIER -58.24 -40.16 76.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.08 -35.27 80.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1058 ' ' ALA . . . . . 0.429 ' O ' ' HB ' ' A' 1062 ' ' THR . . . -71.42 -33.7 69.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1059 ' ' VAL . . . . . 0.615 ' O ' HG22 ' A' 1062 ' ' THR . 15.0 t -70.79 -50.8 41.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1060 ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' 1056 ' ' VAL . 40.5 t -69.91 -34.27 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1061 ' ' GLY . . . . . . . . . . . . . . . -69.0 -48.74 45.82 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1062 ' ' THR . . . . . 0.615 HG22 ' O ' ' A' 1059 ' ' VAL . 15.0 t -60.47 -36.47 78.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 0.796 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1063 ' ' ALA . . . . . 0.493 ' HA ' HG21 ' A' 1092 ' ' THR . . . -73.04 -52.88 12.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.369 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1064 ' ' GLU . . . . . 0.656 ' O ' HG22 ' A' 1073 ' ' VAL . 7.1 mt-10 -54.34 -45.92 72.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1065 ' ' ALA . . . . . 0.816 ' HB2' ' HB ' ' A' 1076 ' ' THR . . . -62.61 -22.89 66.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.41 1.069 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1066 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.95 34.29 5.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.936 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1067 ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' 1063 ' ' ALA . 41.9 t -89.24 -147.98 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 110.028 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1068 ' ' GLU . . . . . 0.417 ' N ' ' OG ' ' A' 1067 ' ' SER . 0.7 OUTLIER -120.43 -4.07 9.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1069 ' ' HIS . . . . . 0.427 ' HA ' ' HD3' ' A' 1070 ' ' PRO . 3.1 t60 -82.43 133.88 49.31 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.58 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1070 ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' 1069 ' ' HIS . 18.0 Cg_endo -75.04 -27.0 10.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 110.947 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1071 ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' 1075 ' ' VAL . 1.0 OUTLIER -98.71 -27.61 13.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -65.99 -49.86 55.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1073 ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' 1065 ' ' ALA . 33.8 t -62.7 -37.13 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.71 79.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1075 ' ' VAL . . . . . 0.811 HG21 HG21 ' A' 1039 ' ' VAL . 3.2 t -62.49 -42.02 94.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1076 ' ' THR . . . . . 0.816 ' HB ' ' HB2' ' A' 1065 ' ' ALA . 0.2 OUTLIER -70.06 -44.66 68.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.468 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -48.1 81.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.232 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 84.2 t80 -61.93 -52.07 65.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1079 ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' 1083 ' ' LEU . 1.0 OUTLIER -58.97 -32.49 69.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.403 1.064 . . . . 0.0 108.321 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1080 ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' 1085 ' ' THR . 0.0 OUTLIER -61.38 -46.5 89.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -63.2 -39.03 93.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -20.87 48.59 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.459 1.1 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1083 ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' 1079 ' ' CYS . 5.7 mt -84.49 -23.41 29.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 76.49 25.49 65.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.549 1.155 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1085 ' ' THR . . . . . 0.504 ' O ' ' CG ' ' A' 1080 ' ' LYS . 2.2 p -135.95 120.19 17.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1086 ' ' GLU . . . . . 0.441 ' O ' ' O ' ' A' 1087 ' ' THR . 2.9 pm0 -44.59 -35.06 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.272 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.577 HG23 ' N ' ' A' 1088 ' ' LEU . 0.6 OUTLIER 47.55 -178.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1088 ' ' LEU . . . . . 0.791 HD13 ' O ' ' A' 1088 ' ' LEU . 0.5 OUTLIER 68.27 -0.04 2.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1089 ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' 1087 ' ' THR . . . -68.96 -14.3 67.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1090 ' ' TYR . . . . . 0.646 ' OH ' HG23 ' A' 1109 ' ' VAL . 2.8 m-85 -81.22 160.0 24.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.433 0.726 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1091 ' ' CYS . . . . . 0.758 ' O ' ' HA ' ' A' 1106 ' ' VAL . 5.6 t -93.59 135.39 34.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1092 ' ' THR . . . . . 0.493 HG21 ' HA ' ' A' 1063 ' ' ALA . 54.9 p -118.2 163.33 16.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -165.1 81.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1094 ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' 1094 ' ' PHE . 0.1 OUTLIER -74.24 171.91 12.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 2.3 tt0 175.8 151.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -110.85 133.43 53.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1097 ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' 1098 ' ' PRO . 14.3 t -112.7 127.22 27.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1098 ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' 1097 ' ' VAL . 18.4 Cg_endo -74.94 142.06 27.6 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 65.74 27.34 72.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 110.971 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1100 ' ' CYS . . . . . 0.547 ' HB3' ' CH2' ' A' 1153 ' ' TRP . 7.4 m -148.67 -67.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 155.76 -124.65 1.52 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1102 ' ' ILE . . . . . 0.407 ' CD1' ' HA2' ' A' 1149 ' ' GLY . 0.8 OUTLIER -130.2 160.64 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 0.0 109.272 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -161.2 168.72 36.57 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1104 ' ' CYS . . . . . 0.469 ' CB ' ' HA ' ' A' 1094 ' ' PHE . 28.4 p -161.64 159.61 27.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1105 ' ' LYS . . . . . 0.457 ' HE3' HG21 ' A' 1143 ' ' THR . 20.2 ttpt -129.25 154.74 46.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1106 ' ' VAL . . . . . 0.758 ' HA ' ' O ' ' A' 1091 ' ' CYS . 4.0 p -140.61 141.68 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 109.262 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1107 ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' 1091 ' ' CYS . 79.9 p -151.69 138.46 18.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1108 ' ' ASN . . . . . 0.533 ' CB ' ' HA ' ' A' 1090 ' ' TYR . 0.4 OUTLIER 162.72 -38.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1109 ' ' VAL . . . . . 0.646 HG23 ' OH ' ' A' 1090 ' ' TYR . 5.8 p -48.95 -24.43 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1110 ' ' GLU . . . . . 0.449 ' CD ' ' N ' ' A' 1111 ' ' GLY . 3.1 pp20? -65.48 -44.73 86.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1111 ' ' GLY . . . . . 0.449 ' N ' ' CD ' ' A' 1110 ' ' GLU . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.057 -0.401 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -86.9 113.14 22.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1143 ' ' THR . . . . . 0.457 HG21 ' HE3' ' A' 1105 ' ' LYS . 1.4 m -121.5 134.11 55.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1144 ' ' PHE . . . . . 0.646 ' CE2' HG11 ' A' 1109 ' ' VAL . 31.5 m-85 -107.2 141.44 38.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1145 ' ' SER . . . . . . . . . . . . . 41.6 p -119.67 127.79 53.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.024 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1146 ' ' VAL . . . . . 0.818 HG22 HD12 ' A' 1184 ' ' ILE . 53.2 t -114.15 139.38 40.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 13.4 mt -107.82 142.2 38.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1148 ' ' ILE . . . . . 0.487 HG23 HG22 ' A' 1182 ' ' VAL . 0.5 OUTLIER -129.5 133.63 64.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.418 1.074 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1149 ' ' GLY . . . . . 0.407 ' HA2' ' CD1' ' A' 1102 ' ' ILE . . . 172.75 177.03 41.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -68.53 176.6 2.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.75 . . . . 0.0 109.279 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1151 ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -64.38 -27.28 68.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.367 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1152 ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.35 -43.55 81.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1153 ' ' TRP . . . . . 0.547 ' CH2' ' HB3' ' A' 1100 ' ' CYS . 11.8 t-105 -58.68 -53.81 54.12 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1154 ' ' LEU . . . . . 1.019 HD11 ' HB2' ' A' 1183 ' ' ALA . 2.8 mm? -60.32 -40.48 90.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1155 ' ' ARG . . . . . 0.541 ' NH2' HD12 ' A' 1159 ' ' LEU . 0.0 OUTLIER -56.29 -50.95 69.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 110.233 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -72.11 -21.1 61.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -47.41 82.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 161.09 56.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.541 HD12 ' NH2' ' A' 1155 ' ' ARG . 0.5 OUTLIER -124.0 -163.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1160 ' ' THR . . . . . 0.641 HG22 ' H ' ' A' 1161 ' ' ILE . 2.5 m -106.81 -166.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.384 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1161 ' ' ILE . . . . . 0.641 ' H ' HG22 ' A' 1160 ' ' THR . 3.0 mt 62.86 155.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1162 ' ' SER . . . . . 0.451 ' HB3' ' CG2' ' A' 1165 ' ' VAL . 32.5 t -70.97 144.77 50.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1163 ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' 1167 ' ' ASP . 3.7 m -65.13 -37.04 86.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 6.5 t0 -70.73 -42.79 70.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1165 ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' 1162 ' ' SER . 69.0 t -62.93 -49.6 82.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1166 ' ' SER . . . . . 0.487 ' CB ' ' HG2' ' A' 1155 ' ' ARG . 5.6 t -68.8 -32.52 72.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.034 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1167 ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' 1163 ' ' SER . 2.9 t70 -64.99 -43.91 91.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -66.93 -38.54 86.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 2.4 tpt -65.07 -50.79 64.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1170 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.94 -45.59 92.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 110.428 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1171 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -39.56 92.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1172 ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' A' 1175 ' ' LYS . 7.7 t-80 -53.95 -45.87 71.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.624 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1173 ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' 1177 ' ' GLN . 1.9 tt0 -60.87 -36.69 79.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 4.5 mtp -64.4 -10.99 28.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1175 ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' 1172 ' ' HIS . 26.7 mttt -89.8 11.49 19.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -156.34 -56.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.427 1.08 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1177 ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' 1173 ' ' GLU . 1.7 mt-30 -125.76 174.46 8.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1178 ' ' THR . . . . . . . . . . . . . 1.1 m -132.0 118.47 19.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -134.28 135.63 42.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1180 ' ' ILE . . . . . 0.555 HG13 HG22 ' A' 1192 ' ' ILE . 13.6 pt -112.56 146.85 16.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.429 1.081 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1181 ' ' LEU . . . . . . . . . . . . . 6.4 mp -99.38 138.56 36.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.625 1.203 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1182 ' ' VAL . . . . . 0.487 HG22 HG23 ' A' 1148 ' ' ILE . 0.9 OUTLIER -118.27 120.39 64.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1183 ' ' ALA . . . . . 1.019 ' HB2' HD11 ' A' 1154 ' ' LEU . . . -115.97 150.51 37.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1184 ' ' ILE . . . . . 0.818 HD12 HG22 ' A' 1146 ' ' VAL . 1.5 tp -109.32 111.27 35.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 6.0 t0 56.29 40.55 29.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.33 15.01 76.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1187 ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' 1184 ' ' ILE . 2.2 t -115.98 154.12 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1188 ' ' LEU . . . . . 0.552 ' CB ' ' O ' ' A' 1045 ' ' LEU . 0.4 OUTLIER -59.94 141.84 54.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1189 ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' 1046 ' ' GLY . 2.1 t -144.71 -64.59 0.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 108.258 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1190 ' ' GLY . . . . . 0.548 ' HA2' ' CB ' ' A' 1045 ' ' LEU . . . 177.88 159.02 22.0 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.099 . . . . 0.0 111.068 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1191 ' ' MET . . . . . 0.479 ' SD ' HD13 ' A' 1045 ' ' LEU . 20.8 ptt? -127.52 148.64 50.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1192 ' ' ILE . . . . . 0.555 HG22 HG13 ' A' 1180 ' ' ILE . 0.6 OUTLIER -107.93 133.97 51.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -106.89 128.43 54.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.091 . . . . 0.0 109.235 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1194 ' ' ILE . . . . . 0.433 ' CD1' ' HA ' ' A' 1039 ' ' VAL . 1.4 mp -111.97 130.2 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.369 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1195 ' ' ALA . . . . . 0.685 ' HB3' ' HB2' ' A' 1040 ' ' MET . . . -139.37 109.94 6.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.234 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1196 ' ' ASP . . . . . 0.511 ' OXT' ' O ' ' A' 1195 ' ' ALA . 3.9 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1038 ' ' ARG . . . . . . . . . . . . . 13.9 mmt-85 -108.79 164.16 12.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1039 ' ' VAL . . . . . 0.445 HG23 HG23 ' A' 1192 ' ' ILE . 3.7 p -68.13 136.75 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1040 ' ' MET . . . . . 0.792 ' HG3' ' HB3' ' A' 1195 ' ' ALA . 0.2 OUTLIER -96.06 -42.16 8.38 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -167.92 157.14 9.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 3.0 t -119.72 137.79 52.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.73 138.75 42.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1044 ' ' LEU . . . . . 0.428 ' O ' HD12 ' A' 1045 ' ' LEU . 4.5 mt -80.28 131.7 35.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1045 ' ' LEU . . . . . 0.669 ' O ' HD23 ' A' 1188 ' ' LEU . 0.2 OUTLIER -144.98 25.85 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 109.3 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1046 ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -127.67 117.2 2.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 1.1 t0 -70.47 116.72 11.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.316 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1048 ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' 1051 ' ' LEU . 14.1 t -93.22 33.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -92.6 -10.05 38.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1050 ' ' THR . . . . . . . . . . . . . 2.0 m -127.77 -36.67 2.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.421 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1051 ' ' LEU . . . . . 0.707 ' O ' HG13 ' A' 1048 ' ' VAL . 1.7 mt -113.82 149.49 41.89 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1052 ' ' PRO . . . . . 0.444 ' HG2' ' CB ' ' A' 1055 ' ' LYS . 18.5 Cg_endo -74.93 138.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.461 1.769 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1053 ' ' LEU . . . . . 0.652 ' HB2' HG21 ' A' 1048 ' ' VAL . 10.8 tp -73.85 -40.43 63.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.367 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -59.6 -48.26 82.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 110.364 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1055 ' ' LYS . . . . . 0.444 ' CB ' ' HG2' ' A' 1052 ' ' PRO . 0.0 OUTLIER -64.1 -46.08 85.8 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' 1060 ' ' VAL . 2.5 t -57.93 -40.5 76.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1057 ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' 1057 ' ' LEU . 0.2 OUTLIER -64.93 -35.67 81.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -68.68 -46.57 68.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1059 ' ' VAL . . . . . 0.63 HG22 HG11 ' A' 1106 ' ' VAL . 0.4 OUTLIER -61.48 -46.14 97.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.384 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1060 ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' 1056 ' ' VAL . 79.9 t -67.52 -35.57 73.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1061 ' ' GLY . . . . . 0.648 ' HA2' HG22 ' A' 1076 ' ' THR . . . -61.87 -47.1 92.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.553 1.158 . . . . 0.0 111.07 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1062 ' ' THR . . . . . 0.566 ' CG2' ' HB2' ' A' 1090 ' ' TYR . 11.1 m -75.53 -33.28 60.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 110.35 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1063 ' ' ALA . . . . . . . . . . . . . . . -56.81 -54.22 48.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1064 ' ' GLU . . . . . 0.767 ' O ' HG22 ' A' 1073 ' ' VAL . 1.8 mt-10 -75.43 -46.17 34.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.357 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1065 ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' 1061 ' ' GLY . . . -55.71 -23.06 26.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1066 ' ' SER . . . . . . . . . . . . . 7.2 t -113.27 28.21 8.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1067 ' ' SER . . . . . 0.557 ' HA ' ' CZ ' ' A' 1094 ' ' PHE . 82.8 p -103.84 159.61 15.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1068 ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -83.5 34.69 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1069 ' ' HIS . . . . . 0.438 ' CD2' ' HD2' ' A' 1070 ' ' PRO . 0.5 OUTLIER -113.8 123.5 32.8 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.591 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1070 ' ' PRO . . . . . 0.438 ' HD2' ' CD2' ' A' 1069 ' ' HIS . 18.5 Cg_endo -74.93 4.11 4.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.517 1.799 . . . . 0.0 111.015 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1071 ' ' LEU . . . . . 0.51 HD12 HG23 ' A' 1075 ' ' VAL . 0.1 OUTLIER -122.37 -44.91 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1072 ' ' GLY . . . . . 0.413 ' O ' ' OG1' ' A' 1076 ' ' THR . . . -63.69 -39.48 97.56 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1073 ' ' VAL . . . . . 0.767 HG22 ' O ' ' A' 1064 ' ' GLU . 92.8 t -66.97 -44.46 88.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.451 0.736 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1074 ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' 1078 ' ' TYR . . . -66.28 -35.51 80.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1075 ' ' VAL . . . . . 0.51 HG23 HD12 ' A' 1071 ' ' LEU . 2.5 t -60.9 -48.56 88.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1076 ' ' THR . . . . . 0.648 HG22 ' HA2' ' A' 1061 ' ' GLY . 0.3 OUTLIER -70.21 -44.18 69.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.37 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -41.68 77.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1078 ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' 1074 ' ' ALA . 2.5 t80 -66.74 -46.18 76.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -58.99 -36.67 75.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 108.234 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -40.95 85.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -40.94 98.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.237 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -78.32 -21.37 49.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.245 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 9.5 mt -83.97 -23.14 31.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 79.38 31.73 40.74 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.561 1.163 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1085 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.96 122.28 19.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 0.792 . . . . 0.0 110.342 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -97.66 13.39 30.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' 1088 ' ' LEU . 25.6 m -53.58 146.25 13.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1088 ' ' LEU . . . . . 0.459 ' CB ' ' O ' ' A' 1087 ' ' THR . 0.3 OUTLIER 166.45 156.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 134.82 36.42 0.22 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1090 ' ' TYR . . . . . 0.645 ' OH ' HG23 ' A' 1109 ' ' VAL . 2.8 m-85 -93.68 161.67 14.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.74 . . . . 0.0 110.968 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1091 ' ' CYS . . . . . 0.614 ' O ' ' HA ' ' A' 1106 ' ' VAL . 16.5 t -95.31 113.39 25.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 108.287 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1092 ' ' THR . . . . . 0.536 ' HB ' ' CE1' ' A' 1094 ' ' PHE . 2.7 p -95.71 163.33 13.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -154.99 74.37 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1094 ' ' PHE . . . . . 0.557 ' CZ ' ' HA ' ' A' 1067 ' ' SER . 17.0 m-85 -77.18 133.75 38.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -154.27 132.77 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -90.72 128.23 36.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 9.7 m -114.02 131.43 23.17 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 152.16 40.1 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.449 1.763 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 62.7 20.86 62.29 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.544 1.153 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1100 ' ' CYS . . . . . 0.582 ' SG ' ' CZ3' ' A' 1153 ' ' TRP . 1.6 m -144.48 -74.63 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 159.65 -130.35 2.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 6.3 pt -126.21 135.86 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 0.742 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -133.01 169.58 22.5 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.059 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1104 ' ' CYS . . . . . . . . . . . . . 3.5 p -162.88 139.07 7.24 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1105 ' ' LYS . . . . . 0.476 ' O ' ' HA ' ' A' 1092 ' ' THR . 3.6 mttt -108.23 154.33 21.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.593 1.183 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1106 ' ' VAL . . . . . 0.63 HG11 HG22 ' A' 1059 ' ' VAL . 5.8 p -141.78 130.18 22.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1107 ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' 1108 ' ' ASN . 24.7 p -150.1 135.79 18.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1108 ' ' ASN . . . . . 0.533 ' CB ' ' HA ' ' A' 1090 ' ' TYR . 0.2 OUTLIER 161.48 -27.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1109 ' ' VAL . . . . . 0.645 HG23 ' OH ' ' A' 1090 ' ' TYR . 7.6 p -48.55 -25.23 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -45.68 85.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.14 141.76 32.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1143 ' ' THR . . . . . . . . . . . . . 8.5 t -121.38 135.51 55.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.405 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -105.25 139.7 39.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1145 ' ' SER . . . . . . . . . . . . . 15.9 t -119.72 130.66 55.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 0.0 110.019 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1146 ' ' VAL . . . . . 0.688 HG22 HD12 ' A' 1184 ' ' ILE . 57.8 t -120.34 128.7 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1147 ' ' LEU . . . . . 0.451 ' O ' HD21 ' A' 1154 ' ' LEU . 1.1 mp -108.05 120.12 41.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1148 ' ' ILE . . . . . 1.029 HG22 HG13 ' A' 1182 ' ' VAL . 0.1 OUTLIER -120.58 157.39 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 166.16 -154.63 25.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.584 1.178 . . . . 0.0 110.965 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 5.4 m120 -68.78 142.88 54.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.761 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1151 ' ' ARG . . . . . 0.474 ' O ' ' CG ' ' A' 1155 ' ' ARG . 3.1 mtm180 -54.69 -27.3 39.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1152 ' ' GLU . . . . . 0.468 ' CB ' ' HA ' ' A' 1167 ' ' ASP . 0.5 OUTLIER -70.03 -38.89 76.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.236 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1153 ' ' TRP . . . . . 0.582 ' CZ3' ' SG ' ' A' 1100 ' ' CYS . 0.1 OUTLIER -74.03 -52.32 13.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 107.988 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1154 ' ' LEU . . . . . 1.036 HD11 ' HB2' ' A' 1183 ' ' ALA . 0.1 OUTLIER -55.97 -47.14 78.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1155 ' ' ARG . . . . . 0.493 ' HB3' ' CB ' ' A' 1160 ' ' THR . 0.9 OUTLIER -62.29 -50.32 72.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -64.94 -16.42 63.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 43.3 t30 -76.52 -66.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1158 ' ' GLY . . . . . 0.993 ' O ' HD23 ' A' 1159 ' ' LEU . . . -63.4 -67.73 1.95 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.488 1.118 . . . . 0.0 111.072 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.993 HD23 ' O ' ' A' 1158 ' ' GLY . 0.0 OUTLIER 177.18 122.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1160 ' ' THR . . . . . 0.604 HG22 ' H ' ' A' 1161 ' ' ILE . 62.2 m -162.69 177.45 9.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 110.364 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1161 ' ' ILE . . . . . 0.724 HG23 ' N ' ' A' 1162 ' ' SER . 0.4 OUTLIER -59.62 -153.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.323 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1162 ' ' SER . . . . . 0.724 ' N ' HG23 ' A' 1161 ' ' ILE . 47.9 t -66.67 143.39 57.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.048 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1163 ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.4 OUTLIER -66.28 -32.7 74.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.028 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 2.4 t0 -70.75 -39.24 73.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 19.3 t -69.95 -49.34 57.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.443 1.09 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1166 ' ' SER . . . . . . . . . . . . . 4.0 t -67.46 -33.28 74.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1167 ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' 1163 ' ' SER . 1.1 t70 -66.32 -42.7 87.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -66.88 -36.55 82.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 5.7 mmt -65.19 -48.74 72.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1170 ' ' THR . . . . . . . . . . . . . 3.0 m -66.52 -45.66 78.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1171 ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.8 OUTLIER -58.28 -41.63 84.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.38 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.96 -47.21 86.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.586 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1173 ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -65.71 -37.73 87.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 8.0 ttt -66.92 -9.35 37.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 -10.91 44.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -119.17 -57.37 0.26 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.404 1.065 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1177 ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -126.45 174.88 8.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1178 ' ' THR . . . . . . . . . . . . . 78.5 m -103.2 123.1 46.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.391 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1179 ' ' ALA . . . . . 0.467 ' HB1' ' CZ ' ' A' 1151 ' ' ARG . . . -130.93 128.07 39.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1180 ' ' ILE . . . . . . . . . . . . . 30.6 pt -134.09 129.22 53.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1181 ' ' LEU . . . . . 0.608 HD22 ' CB ' ' A' 1191 ' ' MET . 0.0 OUTLIER -101.75 133.84 45.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1182 ' ' VAL . . . . . 1.029 HG13 HG22 ' A' 1148 ' ' ILE . 60.9 t -119.69 120.15 62.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1183 ' ' ALA . . . . . 1.036 ' HB2' HD11 ' A' 1154 ' ' LEU . . . -116.5 151.6 35.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1184 ' ' ILE . . . . . 0.688 HD12 HG22 ' A' 1146 ' ' VAL . 1.2 tt -108.63 113.56 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 1.6 t70 55.74 40.49 30.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.14 14.67 76.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1187 ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' 1184 ' ' ILE . 2.3 t -114.12 153.74 15.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.492 0.76 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1188 ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' 1045 ' ' LEU . 0.3 OUTLIER -60.84 143.26 55.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1189 ' ' CYS . . . . . 0.593 ' O ' ' N ' ' A' 1046 ' ' GLY . 2.8 t -145.39 -62.63 0.34 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 108.308 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1190 ' ' GLY . . . . . 0.476 ' O ' ' HB ' ' A' 1182 ' ' VAL . . . 177.09 158.67 20.87 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1191 ' ' MET . . . . . 0.608 ' CB ' HD22 ' A' 1181 ' ' LEU . 0.2 OUTLIER -124.55 148.14 47.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 110.997 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1192 ' ' ILE . . . . . 0.445 HG23 HG23 ' A' 1039 ' ' VAL . 19.5 mt -109.01 134.4 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -118.58 125.66 50.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1194 ' ' ILE . . . . . 0.433 ' CG1' ' HA ' ' A' 1039 ' ' VAL . 4.1 mt -112.85 137.32 46.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1195 ' ' ALA . . . . . 0.792 ' HB3' ' HG3' ' A' 1040 ' ' MET . . . -141.1 106.41 5.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 22.2 t0 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1038 ' ' ARG . . . . . 0.876 ' HA ' HD21 ' A' 1071 ' ' LEU . 0.2 OUTLIER -108.8 163.45 13.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1039 ' ' VAL . . . . . 0.463 ' CG1' HG21 ' A' 1075 ' ' VAL . 4.9 m -67.73 135.92 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1040 ' ' MET . . . . . 0.49 ' HB2' ' HB3' ' A' 1195 ' ' ALA . 8.1 tpt -94.34 -42.41 8.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1041 ' ' ARG . . . . . 0.501 ' HG2' ' HB3' ' A' 1193 ' ' ALA . 0.0 OUTLIER -168.63 156.91 8.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -116.77 137.21 51.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.47 130.34 54.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.24 110.86 19.91 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1045 ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' 1189 ' ' CYS . 34.4 tp -142.42 84.86 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.223 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1046 ' ' GLY . . . . . 0.404 ' HA2' ' C ' ' A' 1188 ' ' LEU . . . -141.74 -141.99 4.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.439 1.087 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 3.9 t0 -149.76 144.99 26.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 0.755 . . . . 0.0 109.373 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1048 ' ' VAL . . . . . . . . . . . . . 2.3 t -131.02 33.44 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1049 ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' 1050 ' ' THR . . . -84.36 6.7 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1050 ' ' THR . . . . . 0.453 ' CB ' ' O ' ' A' 1049 ' ' ALA . 0.9 OUTLIER 169.29 -30.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1051 ' ' LEU . . . . . . . . . . . . . 23.1 mt -82.06 125.93 76.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 132.61 15.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.459 1.768 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 22.1 tp -77.18 -39.29 49.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -64.55 -47.95 76.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1055 ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' 1058 ' ' ALA . 0.2 OUTLIER -64.92 -47.39 77.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.377 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.64 HG13 HD13 ' A' 1184 ' ' ILE . 3.3 t -58.15 -43.49 85.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1057 ' ' LEU . . . . . 0.433 HD23 HG11 ' A' 1060 ' ' VAL . 9.5 mt -64.3 -33.93 76.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1058 ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' 1055 ' ' LYS . . . -62.47 -47.02 85.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1059 ' ' VAL . . . . . 0.884 HG13 ' CG1' ' A' 1106 ' ' VAL . 20.1 t -69.19 -47.89 71.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1060 ' ' VAL . . . . . 0.433 HG11 HD23 ' A' 1057 ' ' LEU . 0.4 OUTLIER -56.53 -38.82 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1061 ' ' GLY . . . . . . . . . . . . . . . -73.42 -36.45 54.92 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1062 ' ' THR . . . . . 0.61 HG21 ' CB ' ' A' 1090 ' ' TYR . 0.5 OUTLIER -60.24 -40.64 90.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 0.81 . . . . 0.0 110.361 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1063 ' ' ALA . . . . . 0.918 ' HB2' HG21 ' A' 1106 ' ' VAL . . . -83.83 -43.21 15.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1064 ' ' GLU . . . . . 0.503 ' HB3' ' CB ' ' A' 1076 ' ' THR . 27.4 mt-10 -54.56 -43.61 72.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1065 ' ' ALA . . . . . 0.726 ' HB2' HG22 ' A' 1076 ' ' THR . . . -75.03 -22.37 58.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.407 1.067 . . . . 0.0 109.335 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1066 ' ' SER . . . . . . . . . . . . . 25.1 t -112.8 31.62 6.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 109.998 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1067 ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' 1063 ' ' ALA . 5.3 m -71.24 -147.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1068 ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -137.8 11.16 2.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1069 ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -112.68 127.41 26.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.6 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1070 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.68 3.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1071 ' ' LEU . . . . . 0.876 HD21 ' HA ' ' A' 1038 ' ' ARG . 0.7 OUTLIER -167.03 -52.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.599 1.187 . . . . 0.0 109.331 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -59.48 -32.52 73.28 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.573 1.17 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1073 ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' 1065 ' ' ALA . 38.0 t -69.49 -37.95 75.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -68.41 -35.51 77.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.081 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1075 ' ' VAL . . . . . 0.463 HG21 ' CG1' ' A' 1039 ' ' VAL . 74.5 t -63.78 -54.64 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1076 ' ' THR . . . . . 0.726 HG22 ' HB2' ' A' 1065 ' ' ALA . 0.6 OUTLIER -64.78 -41.92 95.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.178 . . . . 0.0 110.364 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -46.16 84.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 64.5 t80 -62.61 -40.12 95.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1079 ' ' CYS . . . . . 0.782 ' O ' HD12 ' A' 1083 ' ' LEU . 0.1 OUTLIER -63.54 -34.14 77.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 108.24 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1080 ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' 1085 ' ' THR . 0.0 OUTLIER -66.91 -43.76 82.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.25 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -42.16 98.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.95 -19.69 51.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1083 ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' 1079 ' ' CYS . 2.1 mt -82.72 -23.31 34.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 69.97 42.18 69.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1085 ' ' THR . . . . . 0.403 ' O ' ' HG2' ' A' 1080 ' ' LYS . 0.2 OUTLIER -134.92 121.8 21.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 110.436 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -91.34 17.24 8.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.421 ' O ' ' CG ' ' A' 1088 ' ' LEU . 1.9 t -55.09 136.06 48.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.355 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1088 ' ' LEU . . . . . 0.421 ' CG ' ' O ' ' A' 1087 ' ' THR . 0.3 OUTLIER 169.55 160.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 109.357 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 116.5 27.95 2.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1090 ' ' TYR . . . . . 0.632 ' OH ' HG23 ' A' 1109 ' ' VAL . 6.1 m-85 -93.32 161.47 14.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 0.751 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1091 ' ' CYS . . . . . 0.591 ' O ' ' HA ' ' A' 1106 ' ' VAL . 4.3 t -94.79 113.32 25.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 108.301 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1092 ' ' THR . . . . . 0.644 HG22 HG22 ' A' 1106 ' ' VAL . 29.7 p -95.65 163.02 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 5.7 t0 -158.2 74.66 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1094 ' ' PHE . . . . . 0.412 ' HA ' ' CB ' ' A' 1104 ' ' CYS . 1.6 p90 -74.64 160.65 30.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -178.76 129.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.405 1.065 . . . . 0.0 110.314 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -95.08 132.5 39.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 3.0 p -115.21 129.24 25.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 148.12 35.22 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.445 1.761 . . . . 0.0 111.023 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 61.13 29.32 70.78 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1100 ' ' CYS . . . . . . . . . . . . . 1.2 m -151.16 -70.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 158.46 -128.93 2.16 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.409 1.068 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1102 ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' 1148 ' ' ILE . 0.2 OUTLIER -130.09 154.1 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 109.31 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -151.66 159.76 28.43 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1104 ' ' CYS . . . . . 0.412 ' CB ' ' HA ' ' A' 1094 ' ' PHE . 36.0 t -160.84 151.71 18.56 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1105 ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' 1092 ' ' THR . 24.4 mttt -120.04 153.65 35.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.373 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1106 ' ' VAL . . . . . 0.918 HG21 ' HB2' ' A' 1063 ' ' ALA . 7.5 t -144.35 130.34 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1107 ' ' SER . . . . . . . . . . . . . 24.9 p -149.73 142.24 24.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.417 1.073 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1108 ' ' ASN . . . . . 0.53 ' CB ' ' HA ' ' A' 1090 ' ' TYR . 11.9 t-20 168.51 -37.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1109 ' ' VAL . . . . . 0.632 HG23 ' OH ' ' A' 1090 ' ' TYR . 0.4 OUTLIER -48.24 -25.84 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -61.6 -46.84 88.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.934 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.14 117.65 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 110.325 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1143 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.47 134.33 55.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.39 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -106.4 132.49 52.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1145 ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' 1185 ' ' ASP . 96.6 p -115.76 124.38 50.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.967 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1146 ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' 1183 ' ' ALA . 4.1 p -113.27 138.84 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1147 ' ' LEU . . . . . 0.473 HD13 ' CZ2' ' A' 1153 ' ' TRP . 0.0 OUTLIER -122.98 135.24 54.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1148 ' ' ILE . . . . . 0.712 ' O ' HD12 ' A' 1102 ' ' ILE . 0.4 OUTLIER -132.96 157.74 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 158.88 -147.39 14.87 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 11.2 m120 -67.76 138.95 56.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1151 ' ' ARG . . . . . 0.671 ' HB2' HG22 ' A' 1170 ' ' THR . 0.0 OUTLIER -51.14 -27.06 7.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1152 ' ' GLU . . . . . 0.869 ' H ' HG21 ' A' 1170 ' ' THR . 0.0 OUTLIER -67.89 -37.11 81.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1153 ' ' TRP . . . . . 0.584 ' CE3' ' O ' ' A' 1153 ' ' TRP . 1.5 t-105 -66.01 -48.3 71.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1154 ' ' LEU . . . . . 0.796 HD12 ' CB ' ' A' 1183 ' ' ALA . 3.6 mm? -65.6 -36.08 82.7 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1155 ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' 1159 ' ' LEU . 0.0 OUTLIER -65.96 -44.66 84.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.367 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1156 ' ' ARG . . . . . 0.488 ' CZ ' ' OG ' ' A' 1163 ' ' SER . 10.6 mtp180 -71.82 -22.35 61.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.077 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1157 ' ' ASN . . . . . 0.431 ' OD1' HD11 ' A' 1147 ' ' LEU . 8.6 t-20 -82.15 -66.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1158 ' ' GLY . . . . . 0.747 ' C ' HD13 ' A' 1159 ' ' LEU . . . -61.61 -48.35 85.04 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.747 HD13 ' C ' ' A' 1158 ' ' GLY . 0.0 OUTLIER -124.78 -160.56 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.787 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1160 ' ' THR . . . . . 0.501 ' O ' ' CG1' ' A' 1161 ' ' ILE . 1.6 m -127.65 165.02 20.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1161 ' ' ILE . . . . . 0.552 HG23 ' N ' ' A' 1162 ' ' SER . 0.4 OUTLIER 163.93 169.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1162 ' ' SER . . . . . 0.552 ' N ' HG23 ' A' 1161 ' ' ILE . 1.0 OUTLIER -67.5 141.04 57.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 109.99 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1163 ' ' SER . . . . . 0.531 ' O ' ' CB ' ' A' 1167 ' ' ASP . 28.0 m -71.65 -39.57 70.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1164 ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' 1168 ' ' ALA . 67.2 t0 -71.73 -41.16 68.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1165 ' ' VAL . . . . . 0.47 HG23 ' HB3' ' A' 1162 ' ' SER . 48.9 t -65.98 -50.19 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1166 ' ' SER . . . . . 0.489 ' HB2' HG22 ' A' 1161 ' ' ILE . 1.9 t -66.75 -46.83 74.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.002 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1167 ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' 1163 ' ' SER . 4.8 t70 -60.85 -37.28 81.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1168 ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' 1164 ' ' ASP . . . -63.23 -45.77 90.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 36.8 mmm -61.6 -49.48 76.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1170 ' ' THR . . . . . 0.869 HG21 ' H ' ' A' 1152 ' ' GLU . 4.4 p -62.43 -46.85 86.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.349 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1171 ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.3 OUTLIER -58.61 -43.86 89.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 3.1 t60 -53.53 -47.34 70.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.639 1.212 . . . . 0.0 109.669 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1173 ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' 1177 ' ' GLN . 6.5 mm-40 -60.53 -37.59 81.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.244 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1174 ' ' MET . . . . . 0.423 ' HA ' ' O ' ' A' 1177 ' ' GLN . 0.0 OUTLIER -76.12 -8.43 57.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.22 10.32 17.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -150.39 -58.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1177 ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' 1174 ' ' MET . 55.9 mm-40 -127.29 174.61 8.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.767 . . . . 0.0 110.327 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1178 ' ' THR . . . . . 0.485 ' CG2' ' HB ' ' A' 1194 ' ' ILE . 53.3 m -96.86 119.09 34.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 110.322 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -127.88 127.51 43.52 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.531 1.145 . . . . 0.0 109.359 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1180 ' ' ILE . . . . . 0.578 HD12 HD11 ' A' 1148 ' ' ILE . 18.6 pt -137.16 133.95 47.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1181 ' ' LEU . . . . . 0.551 HD13 ' HB2' ' A' 1154 ' ' LEU . 0.9 OUTLIER -100.05 137.8 38.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1182 ' ' VAL . . . . . 0.671 HG13 ' HB ' ' A' 1148 ' ' ILE . 1.8 t -120.35 123.33 70.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1183 ' ' ALA . . . . . 0.826 ' O ' HG23 ' A' 1146 ' ' VAL . . . -121.67 144.26 48.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1184 ' ' ILE . . . . . 1.017 ' O ' HG12 ' A' 1187 ' ' VAL . 1.2 tt -112.52 131.26 64.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1185 ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' 1145 ' ' SER . 0.5 OUTLIER 55.27 33.89 21.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.53 14.72 77.48 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.1 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1187 ' ' VAL . . . . . 1.017 HG12 ' O ' ' A' 1184 ' ' ILE . 1.1 p -119.46 153.07 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1188 ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' 1188 ' ' LEU . 0.3 OUTLIER -61.49 149.19 39.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1189 ' ' CYS . . . . . 0.575 ' SG ' ' N ' ' A' 1190 ' ' GLY . 1.9 p -146.07 -46.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 108.322 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1190 ' ' GLY . . . . . 0.575 ' N ' ' SG ' ' A' 1189 ' ' CYS . . . 167.05 155.75 9.28 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1191 ' ' MET . . . . . . . . . . . . . 8.7 ptp -115.17 149.11 38.17 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.483 0.755 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1192 ' ' ILE . . . . . 0.426 ' O ' ' CG1' ' A' 1180 ' ' ILE . 18.3 mt -107.98 128.7 63.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1193 ' ' ALA . . . . . 0.501 ' HB3' ' HG2' ' A' 1041 ' ' ARG . . . -110.66 126.37 54.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1194 ' ' ILE . . . . . 0.485 ' HB ' ' CG2' ' A' 1178 ' ' THR . 6.7 mt -110.01 138.59 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1195 ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' 1040 ' ' MET . . . -132.0 104.82 7.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 109.313 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1037 ' ' PRO . . . . . 0.582 ' O ' HD13 ' A' 1071 ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.849 0 N-CA-C 111.068 -0.397 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1038 ' ' ARG . . . . . 0.961 ' O ' HG23 ' A' 1194 ' ' ILE . 0.0 OUTLIER -104.21 162.08 13.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1039 ' ' VAL . . . . . 0.706 HG21 HG21 ' A' 1075 ' ' VAL . 3.8 m -68.39 136.57 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1040 ' ' MET . . . . . 0.672 ' SD ' ' HB2' ' A' 1195 ' ' ALA . 8.6 ptt? -100.11 -38.24 8.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1041 ' ' ARG . . . . . 0.682 ' O ' ' HB3' ' A' 1193 ' ' ALA . 0.1 OUTLIER -171.26 158.82 5.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1042 ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' 1191 ' ' MET . 1.7 p -124.33 137.24 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.615 1.197 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1043 ' ' LEU . . . . . 0.469 HD12 ' NE ' ' A' 1041 ' ' ARG . 0.0 OUTLIER -102.23 151.62 22.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 5.1 tp -92.33 131.97 37.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1045 ' ' LEU . . . . . 0.677 HD13 HD11 ' A' 1181 ' ' LEU . 0.3 OUTLIER -146.61 25.88 1.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1046 ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -107.57 -148.62 14.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 1.6 t70 175.61 170.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1048 ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' 1048 ' ' VAL . 42.6 t -113.93 27.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -93.65 -5.88 47.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1050 ' ' THR . . . . . 0.409 ' O ' ' HG ' ' A' 1051 ' ' LEU . 7.9 m -136.62 -39.22 0.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.403 1.064 . . . . 0.0 110.392 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1051 ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' 1048 ' ' VAL . 13.1 mt -153.33 149.77 22.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.224 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 132.6 15.68 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.801 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.25 -27.16 68.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.37 -49.3 76.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.243 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -40.4 94.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1056 ' ' VAL . . . . . 0.408 ' O ' HG12 ' A' 1059 ' ' VAL . 12.7 t -63.57 -38.85 83.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.603 1.189 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1057 ' ' LEU . . . . . 0.468 HD22 ' HA ' ' A' 1057 ' ' LEU . 0.2 OUTLIER -64.54 -36.96 85.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -68.0 -45.26 74.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1059 ' ' VAL . . . . . 0.981 HG23 HG11 ' A' 1109 ' ' VAL . 0.4 OUTLIER -63.26 -42.0 94.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1060 ' ' VAL . . . . . 0.433 HG12 ' O ' ' A' 1057 ' ' LEU . 0.4 OUTLIER -68.44 -34.85 67.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.352 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1061 ' ' GLY . . . . . 0.698 ' HA2' HG22 ' A' 1076 ' ' THR . . . -60.79 -48.35 86.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.421 1.075 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1062 ' ' THR . . . . . 0.858 HG22 ' CB ' ' A' 1090 ' ' TYR . 51.3 m -79.16 -31.05 43.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 0.75 . . . . 0.0 110.425 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1063 ' ' ALA . . . . . 0.607 ' HA ' ' CD2' ' A' 1090 ' ' TYR . . . -62.66 -53.74 49.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1064 ' ' GLU . . . . . 0.872 ' O ' HG22 ' A' 1073 ' ' VAL . 0.1 OUTLIER -71.03 -45.28 64.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1065 ' ' ALA . . . . . 0.838 ' O ' HG13 ' A' 1073 ' ' VAL . . . -54.4 -36.55 64.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1066 ' ' SER . . . . . . . . . . . . . 5.2 t -117.41 35.08 4.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1067 ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' 1068 ' ' GLU . 0.4 OUTLIER -86.68 -27.97 23.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.971 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1068 ' ' GLU . . . . . 0.541 ' CB ' ' O ' ' A' 1067 ' ' SER . 0.4 OUTLIER 89.72 27.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1069 ' ' HIS . . . . . 0.418 ' H ' HG23 ' A' 1073 ' ' VAL . 10.0 t60 -111.09 127.13 27.38 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.647 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1070 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 54.72 3.72 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.47 1.773 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1071 ' ' LEU . . . . . 0.582 HD13 ' O ' ' A' 1037 ' ' PRO . 1.9 mt -178.6 -52.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1072 ' ' GLY . . . . . 0.449 ' O ' ' OG1' ' A' 1076 ' ' THR . . . -67.88 -33.69 80.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.449 1.093 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1073 ' ' VAL . . . . . 0.872 HG22 ' O ' ' A' 1064 ' ' GLU . 75.3 t -70.04 -35.9 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.59 0.817 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -69.33 -38.35 78.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1075 ' ' VAL . . . . . 0.706 HG21 HG21 ' A' 1039 ' ' VAL . 0.4 OUTLIER -61.51 -50.95 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1076 ' ' THR . . . . . 0.698 HG22 ' HA2' ' A' 1061 ' ' GLY . 0.4 OUTLIER -68.53 -38.18 80.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.421 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1077 ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' 1080 ' ' LYS . 1.2 ttpt -58.28 -47.08 84.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.376 1.047 . . . . 0.0 109.252 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -45.02 95.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -61.77 -34.65 76.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 108.307 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1080 ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' 1081 ' ' GLU . 0.0 OUTLIER -67.16 -38.1 84.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1081 ' ' GLU . . . . . 0.424 ' N ' ' HG2' ' A' 1080 ' ' LYS . 4.3 mt-10 -63.64 -44.09 94.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -20.7 52.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 8.9 mt -83.74 -23.03 31.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 70.44 39.96 68.96 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1085 ' ' THR . . . . . . . . . . . . . 2.3 p -136.84 121.06 17.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 0.741 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -94.4 24.86 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 2.6 m -60.7 125.25 23.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1088 ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' 1088 ' ' LEU . 9.6 mt -156.69 126.47 6.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.611 1.195 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1089 ' ' GLY . . . . . 0.526 ' O ' ' CG ' ' A' 1108 ' ' ASN . . . 161.33 39.44 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.575 1.172 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1090 ' ' TYR . . . . . 1.116 ' CE2' HG22 ' A' 1092 ' ' THR . 0.2 OUTLIER -83.03 142.18 31.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 111.046 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1091 ' ' CYS . . . . . 0.621 ' O ' ' HA ' ' A' 1106 ' ' VAL . 15.5 t -100.85 124.8 47.06 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.502 1.126 . . . . 0.0 108.302 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1092 ' ' THR . . . . . 1.116 HG22 ' CE2' ' A' 1090 ' ' TYR . 2.2 p -92.72 137.59 32.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.431 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1093 ' ' ASP . . . . . 0.502 ' O ' ' CG ' ' A' 1105 ' ' LYS . 9.1 m-20 -163.01 78.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1094 ' ' PHE . . . . . 0.583 ' CB ' ' HA ' ' A' 1104 ' ' CYS . 43.2 p90 -107.92 -167.16 1.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 3.6 tt0 177.22 155.41 0.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -93.41 126.84 38.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.14 125.16 29.69 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 152.35 40.14 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.533 1.807 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 49.01 27.05 6.4 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1100 ' ' CYS . . . . . 0.492 ' O ' ' CG ' ' A' 1153 ' ' TRP . 8.0 m -141.63 -71.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 157.15 -127.44 1.94 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.44 1.087 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1102 ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' 1148 ' ' ILE . 1.2 pt -135.53 135.65 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.566 0.804 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1103 ' ' GLY . . . . . 0.441 ' CA ' HD23 ' A' 1147 ' ' LEU . . . -126.47 132.43 7.75 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.495 1.122 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1104 ' ' CYS . . . . . 0.583 ' HA ' ' CB ' ' A' 1094 ' ' PHE . 3.1 p -121.48 145.23 48.15 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1105 ' ' LYS . . . . . 0.502 ' CG ' ' O ' ' A' 1093 ' ' ASP . 18.7 mtpt -118.73 153.56 34.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1106 ' ' VAL . . . . . 0.621 ' HA ' ' O ' ' A' 1091 ' ' CYS . 0.9 OUTLIER -140.53 135.22 35.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1107 ' ' SER . . . . . 0.577 ' O ' ' CB ' ' A' 1108 ' ' ASN . 0.7 OUTLIER -149.54 134.91 18.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.962 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1108 ' ' ASN . . . . . 0.577 ' CB ' ' O ' ' A' 1107 ' ' SER . 0.3 OUTLIER 149.59 -24.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.247 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1109 ' ' VAL . . . . . 0.981 HG11 HG23 ' A' 1059 ' ' VAL . 24.8 m -57.25 -21.69 15.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1110 ' ' GLU . . . . . 0.402 ' C ' ' CD ' ' A' 1110 ' ' GLU . 5.4 tm-20 -66.19 -45.19 81.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.448 1.093 . . . . 0.0 110.32 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -63.39 122.35 16.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1143 ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.6 129.65 53.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.419 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -106.05 142.49 35.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1145 ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' 1185 ' ' ASP . 26.7 p -116.84 130.4 56.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1146 ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' 1183 ' ' ALA . 43.8 t -123.13 128.88 75.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1147 ' ' LEU . . . . . 0.441 HD23 ' CA ' ' A' 1103 ' ' GLY . 5.6 mt -107.81 122.72 47.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1148 ' ' ILE . . . . . 0.628 HG22 HG22 ' A' 1182 ' ' VAL . 1.2 pt -119.47 157.3 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 158.54 -165.11 33.84 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.601 1.188 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -68.53 149.44 49.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 0.726 . . . . 0.0 109.273 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1151 ' ' ARG . . . . . 0.691 ' HG2' HD23 ' A' 1181 ' ' LEU . 68.4 mtt180 -52.8 -34.2 52.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1152 ' ' GLU . . . . . 0.424 ' HB3' ' CA ' ' A' 1167 ' ' ASP . 0.0 OUTLIER -62.44 -38.21 88.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1153 ' ' TRP . . . . . 0.52 ' CE3' ' O ' ' A' 1153 ' ' TRP . 1.2 t-105 -60.23 -53.38 58.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 107.988 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1154 ' ' LEU . . . . . 0.757 ' CD2' HD12 ' A' 1181 ' ' LEU . 6.9 mp -59.51 -41.12 89.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1155 ' ' ARG . . . . . 0.483 ' HG3' ' CB ' ' A' 1166 ' ' SER . 33.7 mmt-85 -58.7 -46.21 87.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.273 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -71.25 -22.86 61.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 46.6 t30 -68.05 -50.34 55.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 169.81 52.84 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.434 1.084 . . . . 0.0 110.953 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1159 ' ' LEU . . . . . 0.438 ' HA ' HD22 ' A' 1159 ' ' LEU . 0.3 OUTLIER -133.31 138.35 46.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.246 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1160 ' ' THR . . . . . 0.63 HG22 ' H ' ' A' 1161 ' ' ILE . 2.7 m -52.81 -170.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.551 1.157 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1161 ' ' ILE . . . . . 0.63 ' H ' HG22 ' A' 1160 ' ' THR . 2.6 mp 66.59 148.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1162 ' ' SER . . . . . 0.416 ' HB3' ' CG2' ' A' 1165 ' ' VAL . 41.6 t -70.07 143.73 52.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.015 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -35.16 79.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.947 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.82 -38.37 73.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1165 ' ' VAL . . . . . 0.416 ' CG2' ' HB3' ' A' 1162 ' ' SER . 38.4 t -64.21 -50.38 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1166 ' ' SER . . . . . 0.483 ' CB ' ' HG3' ' A' 1155 ' ' ARG . 5.8 t -69.65 -34.42 73.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.026 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1167 ' ' ASP . . . . . 0.424 ' CA ' ' HB3' ' A' 1152 ' ' GLU . 1.2 t70 -64.42 -44.85 89.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.14 84.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 4.3 ttt -64.88 -49.59 69.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1170 ' ' THR . . . . . . . . . . . . . 8.9 m -63.33 -49.0 75.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 110.371 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1171 ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.1 OUTLIER -60.34 -41.37 93.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 10.6 m170 -55.72 -47.43 76.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.59 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1173 ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' 1177 ' ' GLN . 1.4 tt0 -58.49 -37.6 75.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -10.34 14.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 3.4 tttt -87.16 8.33 24.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.174 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -155.68 -57.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.402 1.064 . . . . 0.0 111.046 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1177 ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' 1173 ' ' GLU . 7.6 mp0 -125.93 174.9 8.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1178 ' ' THR . . . . . . . . . . . . . 2.3 m -105.16 122.55 46.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -130.0 128.45 42.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1180 ' ' ILE . . . . . 0.55 HD11 HD12 ' A' 1194 ' ' ILE . 0.0 OUTLIER -134.38 145.58 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.242 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1181 ' ' LEU . . . . . 0.757 HD12 ' CD2' ' A' 1154 ' ' LEU . 0.1 OUTLIER -100.43 140.56 34.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1182 ' ' VAL . . . . . 0.628 HG22 HG22 ' A' 1148 ' ' ILE . 48.8 t -119.14 120.99 65.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1183 ' ' ALA . . . . . 0.717 ' HB2' HD21 ' A' 1154 ' ' LEU . . . -120.59 149.13 42.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1184 ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' 1184 ' ' ILE . 1.4 tt -110.09 111.93 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1185 ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' 1145 ' ' SER . 40.7 t0 55.33 40.74 31.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.359 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.93 14.13 78.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1187 ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' 1184 ' ' ILE . 2.4 t -115.11 153.67 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 0.728 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1188 ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' 1045 ' ' LEU . 0.6 OUTLIER -60.37 143.75 52.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1189 ' ' CYS . . . . . 0.555 ' O ' ' N ' ' A' 1046 ' ' GLY . 2.7 t -147.55 -59.68 0.27 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 0.0 108.347 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1190 ' ' GLY . . . . . 0.503 ' HA2' ' HB2' ' A' 1045 ' ' LEU . . . -179.13 -166.84 35.7 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1191 ' ' MET . . . . . 0.692 ' O ' HG23 ' A' 1042 ' ' VAL . 10.2 ptm -151.34 150.69 30.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 111.064 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1192 ' ' ILE . . . . . . . . . . . . . 2.0 mm -107.07 133.83 50.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1193 ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' 1041 ' ' ARG . . . -122.29 120.25 33.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1194 ' ' ILE . . . . . 0.961 HG23 ' O ' ' A' 1038 ' ' ARG . 7.2 mt -119.51 137.65 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1195 ' ' ALA . . . . . 0.672 ' HB2' ' SD ' ' A' 1040 ' ' MET . . . -141.33 114.76 8.84 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.423 1.077 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 7.3 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . -142.51 -177.59 17.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1034 ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -147.06 109.58 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.546 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 2.8 ttt -162.3 124.76 2.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1036 ' ' VAL . . . . . 0.476 ' CG2' ' HG3' ' A' 1070 ' ' PRO . 14.2 m -98.64 128.3 33.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1037 ' ' PRO . . . . . 0.462 ' HB2' ' CG2' ' A' 1194 ' ' ILE . 18.2 Cg_endo -75.07 -162.76 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.496 1.787 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1038 ' ' ARG . . . . . 0.932 ' O ' HG23 ' A' 1194 ' ' ILE . 5.5 mtp180 -135.88 154.79 51.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1039 ' ' VAL . . . . . 0.439 HG23 ' CE1' ' A' 1069 ' ' HIS . 64.6 t -72.46 136.89 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.24 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1040 ' ' MET . . . . . 0.578 ' CG ' ' HB3' ' A' 1195 ' ' ALA . 13.3 tpt -103.99 -44.09 5.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 111.086 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 6.4 ptt180 -169.8 157.09 6.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.413 1.071 . . . . 0.0 110.302 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -117.95 138.98 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.82 149.81 40.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 2.8 mt -77.45 136.08 38.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1045 ' ' LEU . . . . . 0.554 ' O ' ' CB ' ' A' 1188 ' ' LEU . 2.1 tp -144.72 22.5 1.61 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.416 1.072 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1046 ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -119.51 -151.85 8.95 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 10.1 t0 175.93 162.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 109.278 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1048 ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' 1048 ' ' VAL . 34.5 t -93.99 24.82 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -94.67 -12.26 27.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1050 ' ' THR . . . . . 0.869 ' O ' HD12 ' A' 1051 ' ' LEU . 18.9 m -118.37 -35.23 3.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.45 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1051 ' ' LEU . . . . . 0.869 HD12 ' O ' ' A' 1050 ' ' THR . 0.1 OUTLIER -173.63 168.31 2.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1052 ' ' PRO . . . . . 0.642 ' HD2' HD23 ' A' 1051 ' ' LEU . 18.3 Cg_endo -75.09 133.13 16.08 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.525 1.803 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1053 ' ' LEU . . . . . 0.574 ' HG ' HD12 ' A' 1057 ' ' LEU . 9.9 tp -68.27 -26.05 65.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -49.05 72.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -48.13 73.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' 1059 ' ' VAL . 3.5 t -58.58 -38.51 71.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.202 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1057 ' ' LEU . . . . . 0.574 HD12 ' HG ' ' A' 1053 ' ' LEU . 12.8 mt -67.53 -34.3 76.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1058 ' ' ALA . . . . . 0.401 ' O ' ' OG1' ' A' 1062 ' ' THR . . . -61.58 -50.55 72.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1059 ' ' VAL . . . . . 0.859 HG23 ' CD2' ' A' 1090 ' ' TYR . 9.2 p -70.15 -43.65 78.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.224 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1060 ' ' VAL . . . . . 0.525 ' O ' ' CG ' ' A' 1064 ' ' GLU . 3.9 t -57.52 -36.35 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1061 ' ' GLY . . . . . 0.411 ' O ' HG21 ' A' 1076 ' ' THR . . . -73.97 -36.64 51.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1062 ' ' THR . . . . . 0.931 HG21 ' HB2' ' A' 1090 ' ' TYR . 10.4 m -60.68 -39.96 90.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 110.44 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1063 ' ' ALA . . . . . . . . . . . . . . . -84.45 -42.25 15.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1064 ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' 1060 ' ' VAL . 4.5 mm-40 -54.63 -45.48 73.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1065 ' ' ALA . . . . . 0.68 ' HB2' HG22 ' A' 1076 ' ' THR . . . -75.56 -22.16 57.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1066 ' ' SER . . . . . 0.601 ' O ' ' CB ' ' A' 1067 ' ' SER . 3.1 t -62.1 -12.78 21.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.027 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1067 ' ' SER . . . . . 0.601 ' CB ' ' O ' ' A' 1066 ' ' SER . 3.9 p 94.56 152.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1068 ' ' GLU . . . . . 0.519 ' CB ' ' O ' ' A' 1067 ' ' SER . 1.0 OUTLIER 159.2 -28.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1069 ' ' HIS . . . . . 0.457 ' CG ' ' HD2' ' A' 1070 ' ' PRO . 36.0 t-80 -127.11 140.06 36.81 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.649 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1070 ' ' PRO . . . . . 0.496 ' O ' ' HB2' ' A' 1071 ' ' LEU . 18.4 Cg_endo -74.9 44.2 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.773 . . . . 0.0 111.041 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1071 ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' 1075 ' ' VAL . 0.2 OUTLIER 174.11 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 -179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -56.9 -38.13 82.55 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1073 ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' 1074 ' ' ALA . 0.3 OUTLIER -62.96 -47.9 90.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1074 ' ' ALA . . . . . 0.466 ' N ' ' CG1' ' A' 1073 ' ' VAL . . . -67.1 -33.0 74.52 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1075 ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' 1071 ' ' LEU . 34.7 t -64.42 -51.46 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.213 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1076 ' ' THR . . . . . 0.68 HG22 ' HB2' ' A' 1065 ' ' ALA . 0.8 OUTLIER -65.29 -50.39 65.88 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.49 1.119 . . . . 0.0 110.395 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -37.37 71.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1078 ' ' TYR . . . . . 0.441 ' CB ' ' O ' ' A' 1074 ' ' ALA . 18.9 t80 -66.55 -50.21 63.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 111.048 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1079 ' ' CYS . . . . . 0.833 ' O ' HD12 ' A' 1083 ' ' LEU . 5.0 p -61.29 -34.36 75.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.254 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -46.5 88.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.402 1.064 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.81 -35.9 81.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.53 -21.49 48.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1083 ' ' LEU . . . . . 0.833 HD12 ' O ' ' A' 1079 ' ' CYS . 1.7 mt -83.95 -23.85 30.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 76.18 29.36 58.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.143 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1085 ' ' THR . . . . . . . . . . . . . 1.6 p -136.71 121.33 18.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 110.39 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1086 ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' 1087 ' ' THR . 11.4 pt-20 -93.78 25.73 3.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.827 ' O ' HD12 ' A' 1088 ' ' LEU . 5.1 m -36.35 146.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.343 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1088 ' ' LEU . . . . . 0.827 HD12 ' O ' ' A' 1087 ' ' THR . 0.0 OUTLIER 169.08 114.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 171.71 36.4 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1090 ' ' TYR . . . . . 0.931 ' HB2' HG21 ' A' 1062 ' ' THR . 0.1 OUTLIER -115.32 154.25 29.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.987 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1091 ' ' CYS . . . . . 0.612 ' O ' ' HA ' ' A' 1106 ' ' VAL . 53.8 t -109.45 114.25 27.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 108.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1092 ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' 1105 ' ' LYS . 0.2 OUTLIER -94.02 165.74 12.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 110.398 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -160.9 81.73 0.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1094 ' ' PHE . . . . . 0.487 ' HA ' ' CB ' ' A' 1104 ' ' CYS . 1.5 p90 -73.24 166.76 22.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -178.57 146.7 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 110.245 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -105.72 129.57 53.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 1.4 t -114.74 131.0 23.64 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 149.75 36.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.556 1.819 . . . . 0.0 110.983 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 56.31 32.21 60.27 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.423 1.077 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1100 ' ' CYS . . . . . 0.437 ' O ' ' CG ' ' A' 1153 ' ' TRP . 86.2 m -150.59 -68.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 150.75 -131.56 3.59 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.579 1.175 . . . . 0.0 111.006 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1102 ' ' ILE . . . . . 0.494 HD12 ' O ' ' A' 1148 ' ' ILE . 0.5 OUTLIER -116.81 156.44 18.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -157.5 162.49 32.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1104 ' ' CYS . . . . . 0.487 ' CB ' ' HA ' ' A' 1094 ' ' PHE . 31.4 p -163.21 158.26 21.42 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1105 ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' 1092 ' ' THR . 4.4 mtpt -129.37 153.22 48.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.386 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1106 ' ' VAL . . . . . 0.723 HG22 ' CD1' ' A' 1090 ' ' TYR . 6.3 p -144.44 126.73 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1107 ' ' SER . . . . . 0.47 ' O ' ' HB2' ' A' 1108 ' ' ASN . 1.5 p -150.67 142.51 23.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1108 ' ' ASN . . . . . 0.488 ' HB2' ' HA ' ' A' 1090 ' ' TYR . 0.0 OUTLIER 162.92 -32.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1109 ' ' VAL . . . . . 0.528 ' CG1' ' OH ' ' A' 1090 ' ' TYR . 5.7 p -45.0 -27.58 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.225 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -70.09 -46.64 64.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1111 ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' 1108 ' ' ASN . . . -61.87 -36.58 93.0 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1112 ' ' ILE . . . . . . . . . . . . . 29.1 mm -71.49 -37.62 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1113 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.06 -39.16 93.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.199 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1114 ' ' ALA . . . . . . . . . . . . . . . -116.99 106.05 12.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 6.9 p80 -47.22 171.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.604 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.61 -178.57 4.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.85 64.17 1.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.261 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 55.18 76.07 0.54 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 72.32 4.68 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.07 90.31 2.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.1 170.31 9.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 110.027 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1122 ' ' ALA . . . . . . . . . . . . . . . -139.11 75.15 35.13 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.1 4.19 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.521 1.801 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . -173.1 170.01 4.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1125 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 67.7 101.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1126 ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -126.7 -42.81 1.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.578 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' 1128 ' ' ASN . 0.3 OUTLIER -57.72 -15.96 9.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1128 ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' 1127 ' ' LEU . 39.8 t-20 -38.47 143.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.148 . . . . 0.0 109.363 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.37 -59.28 4.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . -146.33 69.95 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . -90.08 -85.91 1.34 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 71.14 96.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 0.786 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1133 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.79 135.86 42.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1134 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 74.61 3.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.783 . . . . 0.0 111.072 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -125.54 91.73 3.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -164.32 -178.97 5.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.66 121.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.238 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -155.15 122.72 5.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -115.23 91.45 3.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1140 ' ' VAL . . . . . 0.435 ' HA ' ' HD3' ' A' 1141 ' ' PRO . 0.5 OUTLIER -42.5 136.68 2.43 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.355 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1141 ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' 1140 ' ' VAL . 18.0 Cg_endo -75.0 -178.56 4.26 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.456 1.766 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -72.61 121.43 19.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 110.295 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1143 ' ' THR . . . . . 0.465 ' OG1' ' CB ' ' A' 1107 ' ' SER . 1.9 m -120.69 133.66 55.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.457 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -106.69 142.04 36.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 26.0 t -119.17 127.43 53.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1146 ' ' VAL . . . . . 0.962 HG22 HG13 ' A' 1184 ' ' ILE . 40.4 t -118.11 125.82 74.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 5.2 mt -108.29 138.36 44.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1148 ' ' ILE . . . . . 0.578 ' HB ' HG22 ' A' 1182 ' ' VAL . 0.2 OUTLIER -133.63 154.37 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1149 ' ' GLY . . . . . 0.41 ' N ' HG13 ' A' 1148 ' ' ILE . . . 157.35 -162.13 31.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.138 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -68.7 155.6 39.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1151 ' ' ARG . . . . . 0.823 ' HG2' HD13 ' A' 1181 ' ' LEU . 33.2 mtp180 -59.59 -34.02 72.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1152 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.69 -37.02 84.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1153 ' ' TRP . . . . . 0.437 ' CG ' ' O ' ' A' 1100 ' ' CYS . 2.7 t-105 -60.75 -52.36 65.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1154 ' ' LEU . . . . . 0.825 HD11 ' CB ' ' A' 1183 ' ' ALA . 3.6 mm? -61.78 -41.12 97.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1155 ' ' ARG . . . . . 0.634 ' NH2' HD12 ' A' 1161 ' ' ILE . 0.5 OUTLIER -56.85 -48.79 77.25 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.72 -24.24 62.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 55.1 t30 -64.37 -46.32 83.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 160.38 56.24 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1159 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.91 -160.37 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1160 ' ' THR . . . . . 0.611 HG22 ' H ' ' A' 1161 ' ' ILE . 2.4 m -107.75 -169.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.366 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1161 ' ' ILE . . . . . 0.634 HD12 ' NH2' ' A' 1155 ' ' ARG . 26.8 mt 59.17 160.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1162 ' ' SER . . . . . 0.439 ' N ' ' CG2' ' A' 1161 ' ' ILE . 36.4 t -76.76 144.24 39.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1163 ' ' SER . . . . . 0.421 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.3 OUTLIER -65.01 -36.2 83.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.584 1.178 . . . . 0.0 110.042 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 19.7 t0 -71.02 -39.87 72.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 37.2 t -64.36 -50.65 75.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1166 ' ' SER . . . . . 0.435 ' OG ' ' NE ' ' A' 1155 ' ' ARG . 6.0 t -68.43 -34.51 76.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1167 ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' 1171 ' ' ASP . 4.0 t70 -64.9 -45.66 84.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1168 ' ' ALA . . . . . 0.532 ' O ' ' CG ' ' A' 1172 ' ' HIS . . . -64.87 -36.16 83.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -49.97 65.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1170 ' ' THR . . . . . . . . . . . . . 2.5 m -63.46 -48.75 76.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.42 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1171 ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.1 OUTLIER -61.27 -42.77 99.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1172 ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' 1168 ' ' ALA . 0.3 OUTLIER -54.44 -46.58 73.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.546 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1173 ' ' GLU . . . . . 0.44 ' HG2' ' CG ' ' A' 1177 ' ' GLN . 0.2 OUTLIER -57.11 -37.38 71.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.69 -10.37 8.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 16.9 tttt -86.3 10.47 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -160.87 -56.27 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1177 ' ' GLN . . . . . 0.44 ' CG ' ' HG2' ' A' 1173 ' ' GLU . 7.4 pt20 -125.51 174.16 8.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1178 ' ' THR . . . . . . . . . . . . . 22.0 m -108.53 119.86 40.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.468 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -112.84 130.15 56.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1180 ' ' ILE . . . . . 0.457 HD11 ' CG2' ' A' 1192 ' ' ILE . 30.8 pt -135.9 129.79 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1181 ' ' LEU . . . . . 0.823 HD13 ' HG2' ' A' 1151 ' ' ARG . 1.2 mp -102.42 138.36 39.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.384 1.053 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1182 ' ' VAL . . . . . 0.578 HG22 ' HB ' ' A' 1148 ' ' ILE . 1.0 OUTLIER -119.58 119.52 60.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1183 ' ' ALA . . . . . 0.825 ' CB ' HD11 ' A' 1154 ' ' LEU . . . -118.0 149.75 40.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1184 ' ' ILE . . . . . 0.962 HG13 HG22 ' A' 1146 ' ' VAL . 0.7 OUTLIER -108.82 115.41 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 3.5 t0 54.44 39.4 31.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.26 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.46 14.79 77.29 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.105 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1187 ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' 1184 ' ' ILE . 0.3 OUTLIER -113.82 153.74 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.347 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1188 ' ' LEU . . . . . 0.554 ' CB ' ' O ' ' A' 1045 ' ' LEU . 0.4 OUTLIER -61.15 142.18 56.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1189 ' ' CYS . . . . . 0.728 ' SG ' HD13 ' A' 1184 ' ' ILE . 5.5 t -145.1 -62.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 108.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1190 ' ' GLY . . . . . 0.523 ' HA2' ' N ' ' A' 1045 ' ' LEU . . . 178.44 159.39 22.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1191 ' ' MET . . . . . . . . . . . . . 4.5 ptm -123.55 148.88 45.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 0.746 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1192 ' ' ILE . . . . . 0.457 ' CG2' HD11 ' A' 1180 ' ' ILE . 19.5 mt -108.12 130.86 59.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -111.0 121.84 46.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.24 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1194 ' ' ILE . . . . . 0.932 HG23 ' O ' ' A' 1038 ' ' ARG . 2.4 mt -107.58 136.78 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1195 ' ' ALA . . . . . 0.578 ' HB3' ' CG ' ' A' 1040 ' ' MET . . . -140.64 106.86 5.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 5.4 t70 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . 73.33 168.12 13.87 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.594 1.184 . . . . 0.0 110.965 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1034 ' ' HIS . . . . . . . . . . . . . 1.1 t60 -127.66 64.84 1.35 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.488 0.758 . . . . 0.0 109.586 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -162.52 111.8 1.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1036 ' ' VAL . . . . . 0.562 HG13 ' HD2' ' A' 1037 ' ' PRO . 92.9 t -96.7 140.54 22.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1037 ' ' PRO . . . . . 0.562 ' HD2' HG13 ' A' 1036 ' ' VAL . 18.5 Cg_endo -75.0 176.0 10.5 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.578 1.83 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1038 ' ' ARG . . . . . 0.506 ' O ' HG23 ' A' 1194 ' ' ILE . 0.2 OUTLIER -134.86 160.04 39.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.326 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1039 ' ' VAL . . . . . 0.712 ' CG1' HD12 ' A' 1071 ' ' LEU . 12.6 p -74.71 132.19 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1040 ' ' MET . . . . . 0.577 ' CG ' ' HB3' ' A' 1195 ' ' ALA . 0.0 OUTLIER -90.42 -41.8 11.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1041 ' ' ARG . . . . . 0.48 ' HG3' ' HB3' ' A' 1193 ' ' ALA . 5.3 ptt-85 -168.06 156.08 8.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.515 1.135 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -118.71 138.14 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.147 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1043 ' ' LEU . . . . . 0.624 ' HB3' HD21 ' A' 1045 ' ' LEU . 0.0 OUTLIER -106.23 146.97 29.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1044 ' ' LEU . . . . . 1.02 ' C ' HD22 ' A' 1045 ' ' LEU . 3.2 mt -84.66 126.04 33.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1045 ' ' LEU . . . . . 1.02 HD22 ' C ' ' A' 1044 ' ' LEU . 2.6 mm? -141.4 29.86 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1046 ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -133.32 117.94 2.02 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.12 124.62 25.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1048 ' ' VAL . . . . . 0.57 HG11 ' HB2' ' A' 1053 ' ' LEU . 2.4 t -94.24 31.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -93.05 -15.76 25.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1050 ' ' THR . . . . . . . . . . . . . 2.4 m -127.74 -35.9 2.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1051 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.54 144.11 28.87 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 133.48 16.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1053 ' ' LEU . . . . . 0.57 ' HB2' HG11 ' A' 1048 ' ' VAL . 17.1 tp -78.21 -34.37 49.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -40.96 90.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 110.357 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1055 ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' 1059 ' ' VAL . 0.1 OUTLIER -70.98 -49.5 44.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.52 ' O ' HG23 ' A' 1060 ' ' VAL . 0.3 OUTLIER -60.27 -37.08 72.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.595 1.184 . . . . 0.0 109.255 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.61 -45.34 90.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.53 86.02 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.432 1.082 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1059 ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' 1055 ' ' LYS . 92.5 t -59.38 -47.02 92.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1060 ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' 1056 ' ' VAL . 53.7 t -66.64 -35.16 74.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1061 ' ' GLY . . . . . 0.772 ' HA2' HG22 ' A' 1076 ' ' THR . . . -61.52 -46.86 93.46 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1062 ' ' THR . . . . . 0.857 HG22 ' HB3' ' A' 1090 ' ' TYR . 86.0 m -74.64 -30.47 61.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 0.763 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1063 ' ' ALA . . . . . 0.732 ' HB2' ' CE2' ' A' 1090 ' ' TYR . . . -65.01 -55.29 19.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1064 ' ' GLU . . . . . 0.687 ' HB2' HG21 ' A' 1076 ' ' THR . 2.9 mt-10 -63.02 -46.78 85.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1065 ' ' ALA . . . . . 0.621 ' HB2' ' HB ' ' A' 1076 ' ' THR . . . -62.2 -23.21 66.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1066 ' ' SER . . . . . . . . . . . . . 8.4 t -105.5 19.01 21.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1067 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.02 -150.27 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.044 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1068 ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -135.04 26.18 3.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1069 ' ' HIS . . . . . 0.428 ' HA ' ' HD3' ' A' 1070 ' ' PRO . 2.8 t-80 -91.21 130.06 41.3 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.628 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1070 ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' 1069 ' ' HIS . 18.4 Cg_endo -74.97 2.68 6.34 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.564 1.823 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1071 ' ' LEU . . . . . 0.712 HD12 ' CG1' ' A' 1039 ' ' VAL . 0.3 OUTLIER -130.35 -45.49 1.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1072 ' ' GLY . . . . . 0.42 ' O ' HG12 ' A' 1075 ' ' VAL . . . -60.04 -40.76 97.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1073 ' ' VAL . . . . . 0.487 ' CG2' ' HA ' ' A' 1065 ' ' ALA . 0.3 OUTLIER -72.74 -36.42 52.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 109.335 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -69.02 -36.16 77.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1075 ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' 1076 ' ' THR . 0.4 OUTLIER -67.11 -48.71 78.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1076 ' ' THR . . . . . 0.772 HG22 ' HA2' ' A' 1061 ' ' GLY . 1.2 p -67.14 -48.28 68.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.75 -37.75 71.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 13.4 t80 -64.89 -50.49 66.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 111.016 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1079 ' ' CYS . . . . . 0.722 ' O ' HD12 ' A' 1083 ' ' LEU . 2.1 p -59.4 -35.36 73.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 108.324 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 2.5 mttp -62.59 -43.28 99.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -37.41 86.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.15 . . . . 0.0 110.362 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.85 -20.82 48.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1083 ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' 1079 ' ' CYS . 2.4 mt -83.61 -23.82 31.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 88.1 14.92 61.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1085 ' ' THR . . . . . . . . . . . . . 1.8 p -137.19 120.88 17.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.372 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -100.36 -31.14 11.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 9.6 t -40.38 153.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1088 ' ' LEU . . . . . . . . . . . . . 58.9 mt -115.81 -169.15 1.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1089 ' ' GLY . . . . . 0.534 ' O ' ' CG ' ' A' 1108 ' ' ASN . . . 168.25 38.85 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1090 ' ' TYR . . . . . 0.857 ' HB3' HG22 ' A' 1062 ' ' THR . 8.1 t80 -126.39 125.01 41.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1091 ' ' CYS . . . . . 0.718 ' O ' ' HA ' ' A' 1106 ' ' VAL . 17.6 t -96.38 130.96 43.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 108.271 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1092 ' ' THR . . . . . 0.718 HG22 ' HE1' ' A' 1090 ' ' TYR . 8.7 p -94.23 139.07 31.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -170.77 77.76 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1094 ' ' PHE . . . . . 0.585 ' CB ' ' HA ' ' A' 1104 ' ' CYS . 51.0 p90 -106.86 -167.85 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 178.21 164.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -100.9 132.33 46.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 2.3 t -114.89 125.05 29.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 152.56 40.59 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 49.81 26.66 8.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1100 ' ' CYS . . . . . 0.563 ' HB3' ' CH2' ' A' 1153 ' ' TRP . 33.3 m -141.93 -74.51 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 161.47 -125.57 1.46 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.609 1.193 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 13.0 pt -132.78 135.76 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -129.01 127.58 5.59 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1104 ' ' CYS . . . . . 0.585 ' HA ' ' CB ' ' A' 1094 ' ' PHE . 19.9 p -116.58 140.69 49.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1105 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -121.8 153.41 38.36 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1106 ' ' VAL . . . . . 0.856 HG21 ' CD2' ' A' 1090 ' ' TYR . 0.9 OUTLIER -141.84 150.38 19.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1107 ' ' SER . . . . . 0.667 ' O ' ' CB ' ' A' 1108 ' ' ASN . 0.9 OUTLIER -150.86 149.84 30.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1108 ' ' ASN . . . . . 0.667 ' CB ' ' O ' ' A' 1107 ' ' SER . 3.6 t-20 141.33 -57.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1109 ' ' VAL . . . . . 0.502 HG11 HG22 ' A' 1059 ' ' VAL . 5.8 m -51.09 -18.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' 1108 ' ' ASN . 2.6 pt-20 -62.8 -46.72 86.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -81.13 -36.26 21.8 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.487 1.117 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1112 ' ' ILE . . . . . . . . . . . . . 35.3 mm -63.5 -32.08 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.542 0.789 . . . . 0.0 109.233 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1113 ' ' LEU . . . . . 0.5 ' C ' HD12 ' A' 1113 ' ' LEU . 0.6 OUTLIER -87.67 -38.73 15.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1114 ' ' ALA . . . . . . . . . . . . . . . -93.48 -158.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 65.29 121.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.6 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 22.0 t -156.89 134.16 10.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.955 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 4.9 tt0 56.84 74.89 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -65.9 146.46 99.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 110.234 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.49 42.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.72 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.18 64.29 1.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1122 ' ' ALA . . . . . . . . . . . . . . . -123.78 154.05 67.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 114.74 4.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.443 1.759 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1124 ' ' ALA . . . . . 0.408 ' O ' ' CB ' ' A' 1125 ' ' SER . . . -150.87 -173.8 4.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1125 ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' 1126 ' ' HIS . 0.4 OUTLIER 78.19 -63.47 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.048 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1126 ' ' HIS . . . . . 0.41 ' CB ' ' O ' ' A' 1125 ' ' SER . 0.1 OUTLIER 81.54 -48.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 109.639 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' 1128 ' ' ASN . 0.6 OUTLIER -57.48 -14.75 5.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1128 ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' 1127 ' ' LEU . 10.6 t-20 -35.55 107.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.21 94.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . 56.48 -177.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . -155.13 60.46 0.38 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.569 1.168 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 3.0 m -111.66 79.8 1.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 0.776 . . . . 0.0 110.054 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1133 ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' A' 1134 ' ' PRO . 0.5 OUTLIER -121.96 139.24 29.95 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.404 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1134 ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' 1133 ' ' LEU . 18.5 Cg_endo -74.97 172.91 15.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -54.8 156.67 3.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.075 . . . . 0.0 109.253 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -136.57 -51.69 0.69 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 64.57 159.11 0.1 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -160.52 138.23 9.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.357 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1139 ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' 1140 ' ' VAL . . . 63.97 81.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.22 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1140 ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' 1139 ' ' ALA . 0.2 OUTLIER -38.96 136.69 0.95 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.382 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1141 ' ' PRO . . . . . 0.403 ' HD2' HG23 ' A' 1140 ' ' VAL . 18.7 Cg_endo -74.9 161.93 38.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.782 . . . . 0.0 111.079 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1142 ' ' GLN . . . . . 0.426 ' O ' ' CD ' ' A' 1110 ' ' GLU . 2.3 tt0 -112.95 111.95 23.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.223 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1143 ' ' THR . . . . . . . . . . . . . 10.3 t -106.36 136.14 46.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.375 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -104.57 134.46 47.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 59.8 p -119.53 131.5 55.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.993 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1146 ' ' VAL . . . . . 0.91 HG13 ' O ' ' A' 1183 ' ' ALA . 80.5 t -117.67 138.78 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1147 ' ' LEU . . . . . 0.531 HD22 ' HZ2' ' A' 1153 ' ' TRP . 3.5 mt -107.06 121.53 44.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1148 ' ' ILE . . . . . 0.844 ' HB ' HG23 ' A' 1182 ' ' VAL . 0.2 OUTLIER -119.12 153.34 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.175 . . . . 0.0 109.232 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1149 ' ' GLY . . . . . 0.479 ' H ' HD12 ' A' 1148 ' ' ILE . . . 159.98 -172.72 36.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -69.16 174.08 4.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1151 ' ' ARG . . . . . . . . . . . . . 18.7 ttm-85 -63.12 -29.08 70.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1152 ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.08 -44.81 87.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.351 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1153 ' ' TRP . . . . . 0.563 ' CH2' ' HB3' ' A' 1100 ' ' CYS . 18.6 t-105 -61.89 -45.9 91.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 108.005 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1154 ' ' LEU . . . . . 0.795 HD11 ' HB2' ' A' 1183 ' ' ALA . 2.2 mm? -62.56 -36.78 83.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1155 ' ' ARG . . . . . 0.541 HH12 ' N ' ' A' 1163 ' ' SER . 3.4 mmm-85 -58.0 -49.85 75.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -25.92 63.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.35 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -63.53 -43.3 97.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 153.73 55.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.561 1.163 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.481 ' O ' ' NE ' ' A' 1155 ' ' ARG . 0.2 OUTLIER -125.0 133.71 52.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1160 ' ' THR . . . . . 0.618 HG22 ' H ' ' A' 1161 ' ' ILE . 2.2 m -69.98 -165.52 0.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1161 ' ' ILE . . . . . 0.618 ' H ' HG22 ' A' 1160 ' ' THR . 0.1 OUTLIER 78.8 160.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1162 ' ' SER . . . . . . . . . . . . . 41.0 t -69.78 143.91 52.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1163 ' ' SER . . . . . 0.541 ' N ' HH12 ' A' 1155 ' ' ARG . 0.2 OUTLIER -66.53 -34.07 77.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.95 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1164 ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' 1168 ' ' ALA . 24.0 t0 -70.87 -35.19 72.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.393 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 56.0 t -71.84 -49.7 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1166 ' ' SER . . . . . . . . . . . . . 6.4 t -65.29 -46.08 81.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1167 ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' 1163 ' ' SER . 21.1 t70 -63.11 -44.09 96.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1168 ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' 1164 ' ' ASP . . . -62.96 -37.12 85.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 3.9 mtt -66.71 -48.82 68.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1170 ' ' THR . . . . . 0.435 ' CG2' ' N ' ' A' 1171 ' ' ASP . 0.7 OUTLIER -63.22 -47.78 81.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.36 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1171 ' ' ASP . . . . . 0.435 ' N ' ' CG2' ' A' 1170 ' ' THR . 0.1 OUTLIER -63.65 -39.45 94.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -56.15 -47.59 77.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.593 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1173 ' ' GLU . . . . . 0.456 ' HG2' ' HB2' ' A' 1179 ' ' ALA . 1.4 tp10 -59.5 -45.48 91.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.34 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -10.46 17.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.19 10.9 15.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -158.43 -57.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1177 ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' 1173 ' ' GLU . 38.8 mt-30 -126.56 174.14 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1178 ' ' THR . . . . . . . . . . . . . 1.1 p -99.95 119.86 38.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1179 ' ' ALA . . . . . 0.456 ' HB2' ' HG2' ' A' 1173 ' ' GLU . . . -117.37 127.77 54.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1180 ' ' ILE . . . . . 0.823 ' HB ' HD11 ' A' 1148 ' ' ILE . 25.2 pt -131.42 130.39 62.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1181 ' ' LEU . . . . . 0.702 ' O ' HD12 ' A' 1148 ' ' ILE . 4.7 mp -105.41 136.6 44.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1182 ' ' VAL . . . . . 0.844 HG23 ' HB ' ' A' 1148 ' ' ILE . 0.4 OUTLIER -119.7 130.94 73.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1183 ' ' ALA . . . . . 0.91 ' O ' HG13 ' A' 1146 ' ' VAL . . . -122.27 147.66 45.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1184 ' ' ILE . . . . . 0.89 ' O ' HG12 ' A' 1187 ' ' VAL . 0.2 OUTLIER -109.7 126.18 66.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1185 ' ' ASP . . . . . 0.602 ' N ' HD13 ' A' 1184 ' ' ILE . 3.3 t70 56.72 34.85 25.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.76 16.24 77.98 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1187 ' ' VAL . . . . . 0.89 HG12 ' O ' ' A' 1184 ' ' ILE . 0.3 OUTLIER -119.49 155.75 22.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.403 0.708 . . . . 0.0 109.288 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1188 ' ' LEU . . . . . 0.709 HD22 ' HB3' ' A' 1045 ' ' LEU . 0.9 OUTLIER -60.16 147.96 37.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.252 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1189 ' ' CYS . . . . . 0.618 ' O ' ' N ' ' A' 1046 ' ' GLY . 9.1 t -146.39 -59.98 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.17 . . . . 0.0 108.269 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1190 ' ' GLY . . . . . 0.588 ' O ' HG12 ' A' 1182 ' ' VAL . . . 179.87 157.91 20.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1191 ' ' MET . . . . . 0.566 ' H ' HD23 ' A' 1045 ' ' LEU . 0.0 OUTLIER -122.74 147.84 46.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.949 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1192 ' ' ILE . . . . . 0.618 HG23 HG23 ' A' 1039 ' ' VAL . 2.3 mt -109.56 134.87 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1193 ' ' ALA . . . . . 0.48 ' HB3' ' HG3' ' A' 1041 ' ' ARG . . . -115.19 125.83 53.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1194 ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' 1038 ' ' ARG . 4.8 mt -110.84 138.81 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1195 ' ' ALA . . . . . 0.689 ' O ' ' OXT' ' A' 1196 ' ' ASP . . . -135.61 102.72 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1196 ' ' ASP . . . . . 0.689 ' OXT' ' O ' ' A' 1195 ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . 112.01 164.14 17.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1034 ' ' HIS . . . . . . . . . . . . . 1.8 t60 -123.42 72.59 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.59 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 3.4 mtt 174.91 123.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1036 ' ' VAL . . . . . 0.431 ' HA ' ' HD3' ' A' 1037 ' ' PRO . 0.3 OUTLIER -125.68 136.95 29.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1037 ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' 1036 ' ' VAL . 18.2 Cg_endo -75.04 -176.45 2.89 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.478 1.778 . . . . 0.0 111.018 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1038 ' ' ARG . . . . . 0.91 ' O ' HG23 ' A' 1194 ' ' ILE . 0.3 OUTLIER -105.02 165.37 11.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.1 . . . . 0.0 110.288 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1039 ' ' VAL . . . . . 0.501 HG11 HG13 ' A' 1075 ' ' VAL . 1.0 OUTLIER -67.28 128.02 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1040 ' ' MET . . . . . 0.556 ' HB2' ' HB3' ' A' 1195 ' ' ALA . 10.8 tpt -95.7 -42.66 8.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.36 156.42 8.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 1.1 p -122.97 137.48 56.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.0 136.35 41.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.604 1.19 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.514 ' O ' HD23 ' A' 1045 ' ' LEU . 2.6 mt -81.5 124.68 29.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1045 ' ' LEU . . . . . 0.687 ' O ' HD12 ' A' 1188 ' ' LEU . 13.4 mt -136.89 23.32 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1046 ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -125.78 115.88 2.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.84 138.81 56.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.738 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1048 ' ' VAL . . . . . 0.7 HG11 ' CB ' ' A' 1053 ' ' LEU . 2.1 t -116.37 31.7 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -92.33 -15.35 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1050 ' ' THR . . . . . . . . . . . . . 2.1 m -128.14 -36.11 1.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.411 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1051 ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' 1052 ' ' PRO . 26.8 mt -107.14 148.62 37.38 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1052 ' ' PRO . . . . . 0.549 ' O ' HG23 ' A' 1056 ' ' VAL . 18.2 Cg_endo -75.05 133.79 16.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.811 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1053 ' ' LEU . . . . . 0.7 ' CB ' HG11 ' A' 1048 ' ' VAL . 0.7 OUTLIER -76.11 -38.24 57.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -63.6 -47.66 80.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -41.54 87.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 1.189 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' 1052 ' ' PRO . 3.8 t -60.04 -46.51 94.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.382 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1057 ' ' LEU . . . . . 0.509 ' HA ' HG12 ' A' 1060 ' ' VAL . 1.2 mp -65.67 -32.63 74.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.25 79.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1059 ' ' VAL . . . . . 0.795 HG23 ' CD1' ' A' 1090 ' ' TYR . 8.8 p -70.34 -47.26 67.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1060 ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' 1057 ' ' LEU . 0.3 OUTLIER -58.59 -34.06 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1061 ' ' GLY . . . . . 0.476 ' HA2' ' CG2' ' A' 1076 ' ' THR . . . -74.01 -36.44 51.84 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.444 1.09 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1062 ' ' THR . . . . . 0.764 HG21 ' HB2' ' A' 1090 ' ' TYR . 25.8 m -65.29 -35.74 81.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1063 ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' 1067 ' ' SER . . . -84.0 -51.0 7.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1064 ' ' GLU . . . . . 0.543 ' HB2' HG21 ' A' 1076 ' ' THR . 10.9 mt-10 -55.06 -40.86 70.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1065 ' ' ALA . . . . . 0.886 ' O ' HG13 ' A' 1073 ' ' VAL . . . -74.96 -23.21 58.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.379 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1066 ' ' SER . . . . . 0.526 ' O ' ' CZ ' ' A' 1094 ' ' PHE . 40.1 t -109.03 24.02 13.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.942 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1067 ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' 1068 ' ' GLU . 3.5 m -56.63 -27.25 57.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1068 ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' 1067 ' ' SER . 0.2 OUTLIER 86.3 -0.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1069 ' ' HIS . . . . . . . . . . . . . 5.4 t60 -93.06 137.16 23.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.633 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1070 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 55.27 3.85 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.517 1.798 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1071 ' ' LEU . . . . . 0.773 HD21 ' HA ' ' A' 1038 ' ' ARG . 1.4 tt -176.46 -57.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -58.18 -36.75 83.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.429 1.081 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1073 ' ' VAL . . . . . 0.886 HG13 ' O ' ' A' 1065 ' ' ALA . 58.0 t -63.85 -42.77 96.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -66.95 -34.18 77.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1075 ' ' VAL . . . . . 0.501 HG13 HG11 ' A' 1039 ' ' VAL . 16.3 t -62.01 -48.31 89.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1076 ' ' THR . . . . . 0.543 HG21 ' HB2' ' A' 1064 ' ' GLU . 0.6 OUTLIER -66.36 -43.42 86.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 110.416 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1077 ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' 1078 ' ' TYR . 0.0 OUTLIER -59.49 -36.11 75.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1078 ' ' TYR . . . . . 0.42 ' N ' ' HG3' ' A' 1077 ' ' LYS . 52.3 t80 -66.71 -52.28 46.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -34.07 76.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 108.315 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1080 ' ' LYS . . . . . 0.485 ' CD ' ' O ' ' A' 1085 ' ' THR . 0.1 OUTLIER -62.29 -47.22 85.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.33 -36.46 83.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -21.0 56.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.239 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 9.3 mt -83.52 -24.77 31.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 97.86 20.23 22.04 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1085 ' ' THR . . . . . 0.485 ' O ' ' CD ' ' A' 1080 ' ' LYS . 0.2 OUTLIER -136.78 122.14 19.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 0.799 . . . . 0.0 110.337 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.61 25.78 9.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 110.264 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 92.9 m -139.92 140.75 36.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.423 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1088 ' ' LEU . . . . . 0.624 ' CB ' HG23 ' A' 1062 ' ' THR . 0.1 OUTLIER -112.28 -162.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.215 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 173.46 36.02 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.449 1.093 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1090 ' ' TYR . . . . . 0.795 ' CD1' HG23 ' A' 1059 ' ' VAL . 0.2 OUTLIER -123.49 148.93 45.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.994 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1091 ' ' CYS . . . . . 0.671 ' O ' ' HA ' ' A' 1106 ' ' VAL . 2.2 t -95.62 113.64 25.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 108.285 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1092 ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' 1105 ' ' LYS . 4.7 p -93.2 155.56 17.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1093 ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' 1104 ' ' CYS . 5.0 m-20 -153.63 77.15 1.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1094 ' ' PHE . . . . . 0.526 ' CZ ' ' O ' ' A' 1066 ' ' SER . 13.5 m-85 -73.05 151.8 41.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -162.29 128.88 3.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.157 . . . . 0.0 110.235 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -90.13 126.78 35.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.376 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1097 ' ' VAL . . . . . 0.408 HG23 ' H ' ' A' 1101 ' ' GLY . 0.9 OUTLIER -114.2 124.01 31.58 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.96 30.76 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 66.61 14.81 63.19 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1100 ' ' CYS . . . . . . . . . . . . . 11.9 t -135.08 -75.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1101 ' ' GLY . . . . . 0.408 ' H ' HG23 ' A' 1097 ' ' VAL . . . 162.05 -127.61 1.75 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.462 1.101 . . . . 0.0 111.041 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1102 ' ' ILE . . . . . 0.69 HD12 HD12 ' A' 1148 ' ' ILE . 23.2 pt -129.35 142.49 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -151.16 140.72 8.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.463 1.102 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1104 ' ' CYS . . . . . 0.51 ' SG ' ' CG1' ' A' 1146 ' ' VAL . 18.9 p -136.63 161.13 36.76 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1105 ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' 1092 ' ' THR . 3.3 mptt -119.1 154.25 33.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1106 ' ' VAL . . . . . 0.671 ' HA ' ' O ' ' A' 1091 ' ' CYS . 0.3 OUTLIER -143.26 124.91 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1107 ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' 1108 ' ' ASN . 59.1 p -152.05 136.6 16.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1108 ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' A' 1107 ' ' SER . 2.4 t-20 170.47 -40.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1109 ' ' VAL . . . . . . . . . . . . . 6.7 p -51.61 -21.17 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -65.55 -46.17 80.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -80.01 -27.08 54.21 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1112 ' ' ILE . . . . . . . . . . . . . 36.9 mm -70.87 -40.4 76.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.49 0.759 . . . . 0.0 109.351 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1113 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -37.52 36.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.362 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1114 ' ' ALA . . . . . . . . . . . . . . . -115.88 114.71 25.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 2.4 t60 -122.02 88.17 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 109.549 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 78.8 p -63.89 122.76 17.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.043 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 2.6 tt0 178.86 84.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.422 1.076 . . . . 0.0 110.312 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1118 ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' A' 1119 ' ' PRO . 0.0 OUTLIER -54.39 137.02 60.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.407 1.067 . . . . 0.0 110.254 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1119 ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' 1118 ' ' ARG . 18.2 Cg_endo -75.04 132.13 15.03 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.814 . . . . 0.0 110.951 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 74.0 122.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1121 ' ' SER . . . . . 0.616 ' O ' ' HB2' ' A' 1122 ' ' ALA . 31.9 p -173.23 76.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.607 1.192 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1122 ' ' ALA . . . . . 0.828 ' HB3' ' HD3' ' A' 1123 ' ' PRO . . . 168.74 -54.6 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1123 ' ' PRO . . . . . 0.828 ' HD3' ' HB3' ' A' 1122 ' ' ALA . 18.2 Cg_endo -75.08 122.78 7.38 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.803 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . 48.64 -175.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1125 ' ' SER . . . . . . . . . . . . . 6.1 m 61.15 78.66 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.022 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1126 ' ' HIS . . . . . . . . . . . . . 33.9 m-70 60.81 57.83 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.569 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.0 tp -58.68 -16.83 18.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1128 ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -49.52 157.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -76.8 156.12 32.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . 58.02 174.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . -156.55 -120.35 0.65 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 27.2 p -129.01 135.62 49.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 0.736 . . . . 0.0 110.055 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1133 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.11 148.83 78.89 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.346 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1134 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 166.46 29.17 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.507 1.793 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -79.11 136.93 37.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.37 -60.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.95 149.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.39 135.38 8.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1139 ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' 1140 ' ' VAL . . . -56.62 98.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1140 ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' 1139 ' ' ALA . 0.2 OUTLIER -39.95 135.64 1.31 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 153.97 42.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.458 1.768 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -85.69 115.86 23.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1143 ' ' THR . . . . . . . . . . . . . 1.9 m -121.47 135.17 55.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.461 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -104.97 142.04 35.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 12.4 t -107.74 130.95 54.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1146 ' ' VAL . . . . . 0.51 ' CG1' ' SG ' ' A' 1104 ' ' CYS . 3.8 t -109.55 138.46 36.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1147 ' ' LEU . . . . . 0.478 HD23 ' CZ2' ' A' 1153 ' ' TRP . 0.2 OUTLIER -128.07 139.1 52.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1148 ' ' ILE . . . . . 0.954 HG23 HG13 ' A' 1182 ' ' VAL . 0.2 OUTLIER -143.34 142.96 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1149 ' ' GLY . . . . . 0.58 ' CA ' ' CE3' ' A' 1153 ' ' TRP . . . 161.81 -171.27 37.71 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1150 ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' 1153 ' ' TRP . 10.0 m120 -75.61 153.86 37.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 0.768 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1151 ' ' ARG . . . . . 0.792 ' HD2' HG22 ' A' 1170 ' ' THR . 51.1 mtt180 -46.36 -34.96 4.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1152 ' ' GLU . . . . . 0.466 ' HB3' ' CA ' ' A' 1167 ' ' ASP . 3.0 pp20? -70.05 -34.56 73.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.356 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1153 ' ' TRP . . . . . 1.069 ' CH2' HD23 ' A' 1154 ' ' LEU . 0.0 OUTLIER -62.52 -52.78 62.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 108.037 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1154 ' ' LEU . . . . . 1.069 HD23 ' CH2' ' A' 1153 ' ' TRP . 0.2 OUTLIER -64.36 -41.49 96.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1155 ' ' ARG . . . . . 0.457 ' HA ' ' CB ' ' A' 1159 ' ' LEU . 2.2 mpt_? -57.48 -46.43 83.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -69.48 -25.85 64.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 20.3 t30 -65.37 -59.13 4.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.352 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . -175.42 58.21 0.11 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.133 . . . . 0.0 110.969 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.53 HD13 HD12 ' A' 1154 ' ' LEU . 0.1 OUTLIER -144.25 141.8 30.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.297 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1160 ' ' THR . . . . . 0.653 HG22 ' H ' ' A' 1161 ' ' ILE . 2.8 m -55.57 -164.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.384 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1161 ' ' ILE . . . . . 0.653 ' H ' HG22 ' A' 1160 ' ' THR . 1.3 mp 63.5 152.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1162 ' ' SER . . . . . . . . . . . . . 40.3 t -76.28 142.25 41.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.411 1.07 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1163 ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.5 OUTLIER -67.58 -34.1 76.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 25.5 t0 -71.43 -40.07 70.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 32.3 t -64.02 -50.98 74.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1166 ' ' SER . . . . . 0.983 ' O ' HG23 ' A' 1170 ' ' THR . 3.5 t -69.37 -33.08 72.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.005 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1167 ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' 1163 ' ' SER . 0.1 OUTLIER -66.88 -42.71 85.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.25 96.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -48.76 75.74 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.149 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1170 ' ' THR . . . . . 0.983 HG23 ' O ' ' A' 1166 ' ' SER . 72.0 p -63.74 -50.69 68.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.365 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1171 ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.3 OUTLIER -57.34 -37.73 73.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 2.4 m170 -59.44 -47.65 84.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.603 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1173 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.32 -36.34 79.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 2.3 ttt -62.92 -10.74 14.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 2.5 mttp -87.12 10.09 17.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -155.4 -56.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1177 ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -127.21 169.72 13.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1178 ' ' THR . . . . . . . . . . . . . 2.0 m -103.34 128.01 50.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 110.45 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -131.58 128.57 39.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1180 ' ' ILE . . . . . 0.513 HD11 ' HB ' ' A' 1192 ' ' ILE . 8.6 pt -132.56 133.57 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1181 ' ' LEU . . . . . 0.462 HD23 ' HG ' ' A' 1154 ' ' LEU . 0.7 OUTLIER -101.77 136.34 41.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1182 ' ' VAL . . . . . 0.954 HG13 HG23 ' A' 1148 ' ' ILE . 1.6 t -122.11 120.92 62.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1183 ' ' ALA . . . . . 0.567 ' HB3' HD21 ' A' 1154 ' ' LEU . . . -118.61 149.55 41.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1184 ' ' ILE . . . . . . . . . . . . . 81.6 mt -109.29 112.82 42.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 32.0 t70 54.6 41.49 31.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 71.67 14.8 75.38 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1187 ' ' VAL . . . . . . . . . . . . . 2.6 t -114.46 154.18 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 109.272 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1188 ' ' LEU . . . . . 0.687 HD12 ' O ' ' A' 1045 ' ' LEU . 0.6 OUTLIER -59.49 142.91 51.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1189 ' ' CYS . . . . . 0.574 ' O ' ' N ' ' A' 1046 ' ' GLY . 1.7 t -144.35 -56.06 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 108.326 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1190 ' ' GLY . . . . . 0.479 ' HA2' ' CB ' ' A' 1045 ' ' LEU . . . 162.72 157.44 9.05 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.454 1.096 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1191 ' ' MET . . . . . 0.485 ' HB3' ' CD1' ' A' 1045 ' ' LEU . 22.3 ptm -119.71 149.13 42.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 110.978 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1192 ' ' ILE . . . . . 0.513 ' HB ' HD11 ' A' 1180 ' ' ILE . 1.1 mp -108.1 130.38 60.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -115.39 123.16 47.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1194 ' ' ILE . . . . . 0.91 HG23 ' O ' ' A' 1038 ' ' ARG . 4.6 mt -110.62 133.0 57.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.456 1.098 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1195 ' ' ALA . . . . . 0.612 ' O ' ' OXT' ' A' 1196 ' ' ASP . . . -140.0 109.54 6.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1196 ' ' ASP . . . . . 0.612 ' OXT' ' O ' ' A' 1195 ' ' ALA . 20.0 t70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . 176.12 106.51 0.2 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 111.049 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1034 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 53.73 98.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.796 . . . . 0.0 109.579 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 174.8 104.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1036 ' ' VAL . . . . . . . . . . . . . 31.6 m -94.56 123.96 56.63 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1037 ' ' PRO . . . . . 0.51 ' O ' ' CD2' ' A' 1071 ' ' LEU . 18.3 Cg_endo -74.96 -171.89 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.434 1.755 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1038 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.38 164.1 15.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.08 . . . . 0.0 110.277 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1039 ' ' VAL . . . . . 0.765 HG11 HG13 ' A' 1075 ' ' VAL . 5.2 p -66.29 134.9 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1040 ' ' MET . . . . . . . . . . . . . 1.4 tmt? -105.85 -42.48 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -167.99 156.6 9.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.347 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 2.6 t -117.04 137.66 50.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.06 140.84 36.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.492 HD11 ' O ' ' A' 1046 ' ' GLY . 1.9 tp -78.76 126.09 30.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1045 ' ' LEU . . . . . 0.768 ' CD2' HD21 ' A' 1181 ' ' LEU . 0.6 OUTLIER -137.56 23.79 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1046 ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -141.79 122.52 2.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 4.0 t0 -105.25 173.79 6.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 0.769 . . . . 0.0 109.375 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1048 ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' 1051 ' ' LEU . 2.4 t -96.06 30.85 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -93.81 -15.34 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 109.281 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1050 ' ' THR . . . . . 0.615 HG21 HG21 ' A' 1187 ' ' VAL . 27.5 m -131.5 -37.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1051 ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' 1051 ' ' LEU . 17.5 mt -155.42 155.08 29.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1052 ' ' PRO . . . . . 0.413 ' HA ' HG13 ' A' 1048 ' ' VAL . 18.4 Cg_endo -75.03 134.56 17.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1053 ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' 1057 ' ' LEU . 5.9 tp -72.56 -25.82 61.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 5.6 mmt-85 -65.35 -50.56 65.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1055 ' ' LYS . . . . . 0.413 ' CG ' ' HG2' ' A' 1052 ' ' PRO . 41.3 mmtt -69.69 -36.97 76.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.457 ' CG1' ' SG ' ' A' 1189 ' ' CYS . 2.4 t -63.1 -43.81 99.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1057 ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' 1053 ' ' LEU . 0.9 OUTLIER -64.9 -35.81 82.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.445 1.09 . . . . 0.0 109.242 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -62.04 -45.59 92.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 0.0 109.355 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1059 ' ' VAL . . . . . 0.942 HG22 ' CG1' ' A' 1106 ' ' VAL . 0.4 OUTLIER -69.53 -48.5 65.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1060 ' ' VAL . . . . . 0.517 ' O ' ' CG ' ' A' 1064 ' ' GLU . 0.4 OUTLIER -57.77 -35.6 51.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1061 ' ' GLY . . . . . . . . . . . . . . . -73.41 -33.51 58.6 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1062 ' ' THR . . . . . 0.677 HG21 ' CG ' ' A' 1090 ' ' TYR . 0.5 OUTLIER -64.68 -41.08 96.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.586 0.815 . . . . 0.0 110.419 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1063 ' ' ALA . . . . . 0.685 ' HB2' HG21 ' A' 1106 ' ' VAL . . . -84.25 -38.7 20.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1064 ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' 1060 ' ' VAL . 5.5 mm-40 -54.74 -37.74 66.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1065 ' ' ALA . . . . . 0.801 ' O ' HG22 ' A' 1073 ' ' VAL . . . -71.61 -23.9 61.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1066 ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' 1067 ' ' SER . 1.1 t -101.37 -1.68 32.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1067 ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' 1063 ' ' ALA . 9.0 p -35.06 118.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1068 ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' 1067 ' ' SER . 0.6 OUTLIER -35.37 -34.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1069 ' ' HIS . . . . . 0.496 ' CD2' ' HB2' ' A' 1071 ' ' LEU . 1.7 t60 -84.01 139.38 39.78 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.568 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1070 ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' 1069 ' ' HIS . 18.3 Cg_endo -75.03 -0.05 9.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.399 1.737 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1071 ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' 1075 ' ' VAL . 1.9 mp -90.31 -56.29 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.376 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -59.11 -28.69 64.33 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1073 ' ' VAL . . . . . 0.801 HG22 ' O ' ' A' 1065 ' ' ALA . 11.0 t -63.07 -51.33 73.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 0.764 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.0 72.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1075 ' ' VAL . . . . . 0.765 HG13 HG11 ' A' 1039 ' ' VAL . 48.9 t -59.05 -52.09 64.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1076 ' ' THR . . . . . 0.795 ' CG2' ' HB2' ' A' 1065 ' ' ALA . 0.4 OUTLIER -66.15 -40.11 90.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.423 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 4.8 tttp -57.47 -41.95 81.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -66.57 -45.75 78.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1079 ' ' CYS . . . . . 0.543 ' O ' HD12 ' A' 1083 ' ' LEU . 0.0 OUTLIER -63.42 -34.66 78.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 108.351 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1080 ' ' LYS . . . . . 0.433 ' NZ ' ' HG2' ' A' 1086 ' ' GLU . 2.5 pttt -66.98 -38.72 86.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.25 -43.67 97.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -78.53 -20.53 50.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.172 . . . . 0.0 110.294 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1083 ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' 1079 ' ' CYS . 6.2 mt -83.17 -23.3 32.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.385 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 76.01 35.74 43.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1085 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.74 122.14 19.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 0.74 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1086 ' ' GLU . . . . . 0.433 ' HG2' ' NZ ' ' A' 1080 ' ' LYS . 3.4 tt0 -103.51 24.05 11.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 1.3 t -49.82 139.06 13.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.389 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1088 ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' 1088 ' ' LEU . 6.7 tp -176.37 115.8 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 155.66 37.96 0.02 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1090 ' ' TYR . . . . . 0.677 ' CG ' HG21 ' A' 1062 ' ' THR . 11.6 m-85 -101.61 159.59 15.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1091 ' ' CYS . . . . . 0.651 ' O ' ' HA ' ' A' 1106 ' ' VAL . 0.5 OUTLIER -99.21 112.26 24.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 108.265 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1092 ' ' THR . . . . . 0.476 HG22 HG22 ' A' 1106 ' ' VAL . 44.5 p -94.47 160.37 14.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 1.7 t70 -156.36 75.31 0.86 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1094 ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -72.64 143.83 48.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -159.17 132.66 7.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.34 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -89.67 124.15 34.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.08 124.15 31.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 143.72 29.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.509 1.794 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 74.98 7.23 81.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1100 ' ' CYS . . . . . 0.55 ' HB3' ' CZ2' ' A' 1153 ' ' TRP . 87.6 m -132.24 -75.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 157.28 -123.91 1.35 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.556 1.16 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1102 ' ' ILE . . . . . 0.625 HD11 ' HB ' ' A' 1148 ' ' ILE . 15.7 pt -115.08 136.88 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -138.74 120.16 1.89 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.556 1.16 . . . . 0.0 110.973 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1104 ' ' CYS . . . . . . . . . . . . . 7.5 p -127.9 140.87 51.75 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1105 ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' 1092 ' ' THR . 2.0 mttt -106.34 152.79 23.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1106 ' ' VAL . . . . . 0.942 ' CG1' HG22 ' A' 1059 ' ' VAL . 10.6 t -144.71 136.58 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1107 ' ' SER . . . . . 0.71 ' HB3' HG23 ' A' 1143 ' ' THR . 4.1 p -149.27 151.24 33.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.941 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1108 ' ' ASN . . . . . 0.557 ' HB3' ' CD2' ' A' 1090 ' ' TYR . 4.1 t-20 153.78 -20.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1109 ' ' VAL . . . . . 0.616 ' O ' HD23 ' A' 1113 ' ' LEU . 12.2 m -44.47 -31.49 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -53.93 -46.93 71.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -76.24 -30.22 57.32 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1112 ' ' ILE . . . . . . . . . . . . . 42.2 mm -62.67 -49.88 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.757 . . . . 0.0 109.288 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1113 ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' 1109 ' ' VAL . 0.7 OUTLIER -71.56 -38.14 70.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.181 . . . . 0.0 109.264 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1114 ' ' ALA . . . . . . . . . . . . . . . -87.57 -149.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.378 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -171.74 144.42 1.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.603 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.97 118.0 35.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.039 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -140.77 66.48 1.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.235 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -39.96 149.87 0.27 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.345 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 105.0 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.781 . . . . 0.0 111.046 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1120 ' ' LEU . . . . . 0.72 ' O ' HD23 ' A' 1120 ' ' LEU . 0.3 OUTLIER -166.42 110.83 0.79 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 47.7 t -136.89 -44.23 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.957 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1122 ' ' ALA . . . . . . . . . . . . . . . 61.06 91.26 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 109.366 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 173.14 15.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.762 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . -60.01 -97.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1125 ' ' SER . . . . . . . . . . . . . 31.2 m -77.05 102.16 6.37 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.441 1.088 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1126 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -167.52 58.49 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.563 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 6.1 mt -65.81 -12.02 50.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.071 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1128 ' ' ASN . . . . . . . . . . . . . 51.2 t30 -48.73 148.42 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -109.49 138.56 45.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . 55.77 168.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . -159.12 -97.42 0.12 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.482 1.114 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 3.5 m -133.79 123.4 24.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.996 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1133 ' ' LEU . . . . . . . . . . . . . 10.4 mp -72.75 148.6 89.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1134 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 175.56 11.09 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.426 1.75 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -71.34 98.57 1.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -45.13 -41.38 7.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 2.5 mttt -42.19 128.55 3.7 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 8.2 p30 -118.76 116.81 27.33 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.552 1.157 . . . . 0.0 109.238 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1139 ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' 1140 ' ' VAL . . . -72.86 82.74 1.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.372 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1140 ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' 1139 ' ' ALA . 0.2 OUTLIER -38.98 134.88 1.03 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.595 1.184 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.97 43.03 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -91.55 142.33 27.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1143 ' ' THR . . . . . 0.71 HG23 ' HB3' ' A' 1107 ' ' SER . 53.1 m -117.23 134.51 54.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.403 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -108.57 141.54 40.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1145 ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' 1185 ' ' ASP . 54.1 p -102.01 130.45 48.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.956 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1146 ' ' VAL . . . . . 0.485 HG22 HG13 ' A' 1184 ' ' ILE . 96.4 t -117.92 138.62 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.57 139.39 53.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1148 ' ' ILE . . . . . 0.85 HG23 HG22 ' A' 1182 ' ' VAL . 0.6 OUTLIER -138.87 157.3 29.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 162.11 -166.37 36.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.145 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 12.2 m120 -67.6 146.33 53.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 0.808 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1151 ' ' ARG . . . . . 0.653 HH21 HH12 ' A' 1155 ' ' ARG . 48.9 mtp180 -51.43 -26.8 8.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1152 ' ' GLU . . . . . 0.614 ' H ' HG21 ' A' 1170 ' ' THR . 0.7 OUTLIER -68.23 -43.04 78.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1153 ' ' TRP . . . . . 0.587 ' CE3' ' O ' ' A' 1153 ' ' TRP . 0.9 OUTLIER -58.79 -52.27 66.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 107.995 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1154 ' ' LEU . . . . . 0.438 ' HG ' HD23 ' A' 1181 ' ' LEU . 3.2 mm? -61.27 -38.27 86.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.407 1.067 . . . . 0.0 109.36 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1155 ' ' ARG . . . . . 0.653 HH12 HH21 ' A' 1151 ' ' ARG . 2.8 mpt_? -57.01 -49.08 76.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.227 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -72.52 -22.02 61.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 62.4 t30 -62.43 -59.23 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . -174.38 56.56 0.13 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.451 ' CB ' ' HA ' ' A' 1155 ' ' ARG . 0.0 OUTLIER -132.79 -160.15 1.02 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 0.763 . . . . 0.0 109.254 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1160 ' ' THR . . . . . 0.663 HG22 ' H ' ' A' 1161 ' ' ILE . 2.8 m -110.56 -165.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.417 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1161 ' ' ILE . . . . . 0.663 ' H ' HG22 ' A' 1160 ' ' THR . 19.6 mm 65.04 153.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1162 ' ' SER . . . . . . . . . . . . . 39.9 t -72.47 144.71 47.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 44.2 m -65.54 -36.01 82.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 1.4 t0 -70.5 -39.38 74.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 41.5 t -68.18 -48.63 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1166 ' ' SER . . . . . 1.009 ' O ' HG23 ' A' 1170 ' ' THR . 7.1 t -67.33 -34.32 77.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.986 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1167 ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.8 -45.42 89.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -70.19 -34.44 72.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 109.238 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 6.9 mtm -65.82 -48.52 71.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 111.001 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1170 ' ' THR . . . . . 1.009 HG23 ' O ' ' A' 1166 ' ' SER . 65.0 p -64.52 -52.32 58.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1171 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -44.43 89.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -54.09 -47.77 71.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.628 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1173 ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' 1177 ' ' GLN . 3.6 mm-40 -57.46 -37.21 72.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 2.7 ttp -61.84 -11.1 11.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.48 10.46 17.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -159.45 -56.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1177 ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' 1173 ' ' GLU . 19.2 mp0 -125.8 174.87 8.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 110.219 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1178 ' ' THR . . . . . 0.524 ' HB ' ' CG1' ' A' 1194 ' ' ILE . 1.3 m -124.22 119.89 30.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -132.75 128.35 36.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.597 1.185 . . . . 0.0 109.261 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1180 ' ' ILE . . . . . 0.464 HG13 HG22 ' A' 1192 ' ' ILE . 20.0 pt -130.67 147.37 33.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1181 ' ' LEU . . . . . 0.768 HD21 ' CD2' ' A' 1045 ' ' LEU . 0.5 OUTLIER -101.41 142.08 33.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1182 ' ' VAL . . . . . 0.85 HG22 HG23 ' A' 1148 ' ' ILE . 3.9 t -120.58 121.09 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1183 ' ' ALA . . . . . . . . . . . . . . . -116.85 149.98 39.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1184 ' ' ILE . . . . . 0.642 ' O ' HG12 ' A' 1187 ' ' VAL . 1.2 mp -107.63 111.81 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1185 ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' 1145 ' ' SER . 0.7 OUTLIER 52.4 43.99 30.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 71.09 14.93 74.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1187 ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' 1184 ' ' ILE . 0.4 OUTLIER -112.39 153.91 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.236 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1188 ' ' LEU . . . . . 0.552 ' HG ' HD23 ' A' 1045 ' ' LEU . 0.6 OUTLIER -61.8 144.1 55.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1189 ' ' CYS . . . . . 0.521 ' CB ' HD13 ' A' 1184 ' ' ILE . 1.5 t -144.88 -66.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 108.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1190 ' ' GLY . . . . . 0.559 ' HA2' ' CB ' ' A' 1045 ' ' LEU . . . 170.95 157.88 13.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1191 ' ' MET . . . . . 0.633 ' HB3' HD12 ' A' 1181 ' ' LEU . 1.2 ppp? -118.58 148.74 42.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1192 ' ' ILE . . . . . 0.489 HD11 HG21 ' A' 1039 ' ' VAL . 3.3 tt -108.34 134.21 50.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -121.12 117.69 27.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1194 ' ' ILE . . . . . 0.524 ' CG1' ' HB ' ' A' 1178 ' ' THR . 3.9 pt -109.82 130.97 62.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1195 ' ' ALA . . . . . 0.571 ' O ' ' OXT' ' A' 1196 ' ' ASP . . . -140.06 110.97 6.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1196 ' ' ASP . . . . . 0.571 ' OXT' ' O ' ' A' 1195 ' ' ALA . 19.3 t70 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . -127.54 -148.43 6.88 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1034 ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' 1034 ' ' HIS . 6.0 p80 -113.08 74.46 0.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 0.748 . . . . 0.0 109.573 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -150.52 124.37 9.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1036 ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' 1037 ' ' PRO . 12.6 p -105.05 128.54 26.48 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1037 ' ' PRO . . . . . 0.942 ' HB2' HD11 ' A' 1194 ' ' ILE . 18.3 Cg_endo -74.96 171.25 18.67 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.488 1.783 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1038 ' ' ARG . . . . . 0.839 ' HA ' HD13 ' A' 1071 ' ' LEU . 4.2 mpt_? -135.95 163.13 30.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1039 ' ' VAL . . . . . . . . . . . . . 9.8 p -68.67 137.41 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1040 ' ' MET . . . . . 0.523 ' O ' ' CG ' ' A' 1041 ' ' ARG . 6.9 tpt -100.84 -42.61 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1041 ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' 1040 ' ' MET . 32.5 mtt180 -164.96 157.36 15.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 0.0 110.22 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 2.4 t -129.84 137.13 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.78 138.9 50.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.664 ' O ' HD12 ' A' 1045 ' ' LEU . 3.1 tp -79.43 136.69 37.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1045 ' ' LEU . . . . . 0.682 ' O ' HD12 ' A' 1188 ' ' LEU . 0.7 OUTLIER -145.17 23.95 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1046 ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -122.85 114.89 2.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.586 1.179 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.97 141.86 48.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1048 ' ' VAL . . . . . 0.63 HG11 ' HB2' ' A' 1053 ' ' LEU . 4.9 t -131.04 30.08 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -92.63 -15.56 26.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.376 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1050 ' ' THR . . . . . . . . . . . . . 6.2 m -131.97 -36.46 1.18 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1051 ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' 1052 ' ' PRO . 6.1 mp -99.92 146.63 32.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1052 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 1051 ' ' LEU . 18.4 Cg_endo -75.02 134.43 17.77 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1053 ' ' LEU . . . . . 0.63 ' HB2' HG11 ' A' 1048 ' ' VAL . 7.5 tp -77.18 -35.11 56.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -65.21 -45.3 85.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 110.265 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -50.53 56.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1056 ' ' VAL . . . . . . . . . . . . . 7.9 t -57.8 -41.51 79.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1057 ' ' LEU . . . . . 0.41 ' O ' HG12 ' A' 1060 ' ' VAL . 31.8 tp -64.81 -35.23 80.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.7 92.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1059 ' ' VAL . . . . . 0.446 ' O ' HG22 ' A' 1062 ' ' THR . 43.1 t -68.69 -47.6 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.376 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1060 ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' 1057 ' ' LEU . 0.4 OUTLIER -56.79 -38.79 60.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1061 ' ' GLY . . . . . 0.491 ' HA2' ' CG2' ' A' 1076 ' ' THR . . . -73.82 -33.59 57.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1062 ' ' THR . . . . . 0.776 HG21 ' CG ' ' A' 1090 ' ' TYR . 0.5 OUTLIER -62.75 -40.37 97.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 110.439 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1063 ' ' ALA . . . . . 0.733 ' HB2' HG11 ' A' 1106 ' ' VAL . . . -84.72 -44.66 13.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1064 ' ' GLU . . . . . 0.545 ' HB2' HG21 ' A' 1076 ' ' THR . 3.0 mm-40 -55.32 -45.49 76.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1065 ' ' ALA . . . . . 0.652 ' HB2' ' HB ' ' A' 1076 ' ' THR . . . -76.48 -22.45 54.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1066 ' ' SER . . . . . . . . . . . . . 8.5 t -108.77 27.4 9.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1067 ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' 1063 ' ' ALA . 0.4 OUTLIER -78.51 -30.15 46.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.026 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1068 ' ' GLU . . . . . . . . . . . . . 3.4 tt0 77.38 21.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.088 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1069 ' ' HIS . . . . . 0.5 ' CG ' ' HD2' ' A' 1070 ' ' PRO . 13.1 t-80 -90.68 142.55 27.96 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.598 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1070 ' ' PRO . . . . . 0.5 ' HD2' ' CG ' ' A' 1069 ' ' HIS . 18.3 Cg_endo -75.02 56.13 4.17 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.455 1.766 . . . . 0.0 110.961 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1071 ' ' LEU . . . . . 0.839 HD13 ' HA ' ' A' 1038 ' ' ARG . 0.1 OUTLIER 165.41 -52.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -58.34 -35.73 80.2 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1073 ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' 1065 ' ' ALA . 0.3 OUTLIER -64.68 -47.97 86.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1074 ' ' ALA . . . . . 0.481 ' N ' ' CG1' ' A' 1073 ' ' VAL . . . -67.01 -33.81 76.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1075 ' ' VAL . . . . . 0.425 HG23 HD12 ' A' 1071 ' ' LEU . 2.4 t -59.32 -49.32 83.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1076 ' ' THR . . . . . 0.652 ' HB ' ' HB2' ' A' 1065 ' ' ALA . 0.2 OUTLIER -69.01 -42.64 76.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.432 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -57.15 -42.0 80.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -46.13 76.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1079 ' ' CYS . . . . . 0.677 ' O ' HD12 ' A' 1083 ' ' LEU . 0.1 OUTLIER -61.34 -35.65 78.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 108.342 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 8.9 mttp -66.7 -39.91 88.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.403 1.065 . . . . 0.0 109.333 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.44 -42.55 98.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -78.09 -21.63 50.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.221 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1083 ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' 1079 ' ' CYS . 5.0 mt -83.39 -22.43 32.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 77.84 30.94 50.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1085 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.98 122.12 19.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 110.439 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -102.84 23.37 12.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 60.7 m -50.88 136.76 22.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1088 ' ' LEU . . . . . . . . . . . . . 3.7 tp -177.76 113.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 169.18 37.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1090 ' ' TYR . . . . . 0.776 ' CG ' HG21 ' A' 1062 ' ' THR . 0.2 OUTLIER -101.53 160.33 14.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 0.781 . . . . 0.0 110.984 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1091 ' ' CYS . . . . . 0.688 ' O ' ' HA ' ' A' 1106 ' ' VAL . 8.6 t -96.46 113.15 24.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 108.396 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1092 ' ' THR . . . . . . . . . . . . . 45.1 p -93.93 152.16 19.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.606 1.191 . . . . 0.0 110.374 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.92 75.43 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1094 ' ' PHE . . . . . . . . . . . . . 18.0 p90 -73.64 147.08 44.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -159.58 138.3 10.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 110.301 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -109.26 129.41 55.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.355 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 44.5 t -114.9 124.47 30.34 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 142.71 28.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.798 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 76.06 11.73 84.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1100 ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -138.37 -74.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 165.97 -132.61 2.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1102 ' ' ILE . . . . . 0.575 HD12 ' N ' ' A' 1102 ' ' ILE . 0.4 OUTLIER -134.78 163.13 37.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -170.58 155.27 24.58 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.433 1.083 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1104 ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' 1105 ' ' LYS . 7.0 t -142.74 153.12 43.02 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1105 ' ' LYS . . . . . 0.437 ' N ' ' SG ' ' A' 1104 ' ' CYS . 0.0 OUTLIER -116.15 154.74 29.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1106 ' ' VAL . . . . . 0.733 HG11 ' HB2' ' A' 1063 ' ' ALA . 0.0 OUTLIER -143.04 126.79 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1107 ' ' SER . . . . . 0.541 ' HB3' HG23 ' A' 1143 ' ' THR . 6.3 p -150.67 136.5 18.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.17 . . . . 0.0 110.012 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1108 ' ' ASN . . . . . 0.496 ' HB2' ' HA ' ' A' 1090 ' ' TYR . 0.1 OUTLIER 165.6 -27.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.062 . . . . 0.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1109 ' ' VAL . . . . . 0.504 ' CG1' ' OH ' ' A' 1090 ' ' TYR . 3.4 p -44.23 -29.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.43 -46.35 76.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1111 ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' 1108 ' ' ASN . . . -66.55 -29.33 74.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1112 ' ' ILE . . . . . . . . . . . . . 33.7 mm -73.31 -38.42 53.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1113 ' ' LEU . . . . . 0.43 HD23 ' N ' ' A' 1113 ' ' LEU . 0.7 OUTLIER -66.19 -39.71 89.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1114 ' ' ALA . . . . . . . . . . . . . . . 63.37 142.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -148.21 64.31 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.576 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 11.2 t -138.75 129.19 25.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -130.34 57.02 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 27.0 ttt85 -158.32 86.53 2.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.249 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 159.88 41.09 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.439 1.758 . . . . 0.0 111.018 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.79 -64.81 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 9.3 m 42.07 91.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.956 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1122 ' ' ALA . . . . . . . . . . . . . . . -176.99 66.23 0.22 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.412 1.07 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 114.82 4.11 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.475 1.776 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . -177.85 170.46 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1125 ' ' SER . . . . . . . . . . . . . 35.2 t -87.51 -60.12 2.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.989 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1126 ' ' HIS . . . . . . . . . . . . . 2.0 m-70 48.07 59.54 4.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.59 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 10.0 tp -63.69 -13.54 43.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1128 ' ' ASN . . . . . . . . . . . . . 46.1 t30 -46.33 158.09 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -98.2 119.85 37.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . -145.33 171.9 13.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . -148.85 -112.91 0.66 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.465 1.103 . . . . 0.0 111.049 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 4.0 m 62.2 137.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 0.0 109.992 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1133 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.29 144.0 30.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1134 ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.02 171.92 17.39 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -99.57 -65.93 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 54.1 104.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.23 158.21 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -126.29 118.92 26.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -136.92 166.45 23.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.224 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1140 ' ' VAL . . . . . 0.465 HG23 ' HD2' ' A' 1141 ' ' PRO . 0.7 OUTLIER -100.95 136.95 19.65 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1141 ' ' PRO . . . . . 0.465 ' HD2' HG23 ' A' 1140 ' ' VAL . 18.8 Cg_endo -74.81 164.36 33.73 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.067 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -71.75 110.41 6.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1143 ' ' THR . . . . . 0.541 HG23 ' HB3' ' A' 1107 ' ' SER . 1.9 m -107.28 134.23 50.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.441 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -106.0 140.62 38.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 47.2 p -110.47 128.98 55.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1146 ' ' VAL . . . . . 0.596 HG22 HD12 ' A' 1184 ' ' ILE . 46.0 t -121.27 140.7 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1147 ' ' LEU . . . . . 0.748 HD13 ' H ' ' A' 1186 ' ' GLY . 0.3 OUTLIER -127.82 148.26 50.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1148 ' ' ILE . . . . . 0.956 HG23 HG13 ' A' 1182 ' ' VAL . 0.3 OUTLIER -141.32 156.79 21.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.59 1.181 . . . . 0.0 109.249 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1149 ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' 1153 ' ' TRP . . . 160.42 -174.29 37.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1150 ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' 1153 ' ' TRP . 14.9 t-20 -69.65 152.8 44.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1151 ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' 1155 ' ' ARG . 13.5 mtp180 -45.37 -34.88 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1152 ' ' GLU . . . . . 0.481 ' CB ' ' HB2' ' A' 1167 ' ' ASP . 1.0 OUTLIER -69.67 -35.08 74.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1153 ' ' TRP . . . . . 1.153 ' CH2' HD23 ' A' 1154 ' ' LEU . 0.0 OUTLIER -61.11 -53.38 57.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.0 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1154 ' ' LEU . . . . . 1.153 HD23 ' CH2' ' A' 1153 ' ' TRP . 0.2 OUTLIER -64.75 -41.57 95.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1155 ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' 1160 ' ' THR . 0.7 OUTLIER -55.27 -47.9 74.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -25.06 62.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -62.32 -49.72 74.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.353 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 164.87 57.66 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.442 1.089 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.481 HD22 ' H ' ' A' 1160 ' ' THR . 0.5 OUTLIER -124.43 -162.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 0.719 . . . . 0.0 109.256 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1160 ' ' THR . . . . . 0.535 HG22 ' H ' ' A' 1161 ' ' ILE . 2.6 m -109.29 -178.09 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1161 ' ' ILE . . . . . 0.535 ' H ' HG22 ' A' 1160 ' ' THR . 15.1 mm 64.41 162.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1162 ' ' SER . . . . . 0.457 ' N ' ' CG2' ' A' 1161 ' ' ILE . 38.0 t -75.72 141.68 42.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1163 ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.6 OUTLIER -68.55 -34.25 75.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -38.93 71.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1165 ' ' VAL . . . . . 0.444 ' CG2' ' HB3' ' A' 1162 ' ' SER . 30.8 t -62.55 -51.98 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1166 ' ' SER . . . . . . . . . . . . . 3.5 t -70.87 -33.75 70.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1167 ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' 1163 ' ' SER . 8.0 t0 -63.65 -42.57 98.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -66.98 -42.62 84.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 109.228 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 1.1 tpt -59.93 -51.28 70.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1170 ' ' THR . . . . . 0.456 ' CG2' ' ND2' ' A' 1150 ' ' ASN . 17.3 m -67.0 -40.25 87.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.468 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1171 ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.5 OUTLIER -57.89 -46.78 84.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.249 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.35 -44.23 92.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1173 ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.17 -36.4 70.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.387 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 8.0 ttt -63.48 -10.46 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 1.7 tttt -84.71 8.3 17.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -155.23 -55.01 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.407 1.067 . . . . 0.0 111.055 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1177 ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -126.18 159.24 33.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 0.76 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1178 ' ' THR . . . . . 0.724 ' HB ' HG23 ' A' 1194 ' ' ILE . 1.0 OUTLIER -94.82 120.36 34.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -112.61 127.87 56.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1180 ' ' ILE . . . . . . . . . . . . . 4.5 pt -138.44 130.31 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1181 ' ' LEU . . . . . . . . . . . . . 2.7 tt -101.24 140.7 35.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1182 ' ' VAL . . . . . 0.956 HG13 HG23 ' A' 1148 ' ' ILE . 3.1 t -119.09 119.7 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1183 ' ' ALA . . . . . 0.665 ' HB3' HD21 ' A' 1154 ' ' LEU . . . -118.01 149.61 40.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1184 ' ' ILE . . . . . 0.596 HD12 HG22 ' A' 1146 ' ' VAL . 0.5 OUTLIER -109.89 115.59 50.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 15.8 t0 56.84 39.49 29.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1186 ' ' GLY . . . . . 0.748 ' H ' HD13 ' A' 1147 ' ' LEU . . . 71.68 15.03 75.49 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1187 ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' 1184 ' ' ILE . 2.1 t -116.68 154.63 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1188 ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' 1045 ' ' LEU . 0.7 OUTLIER -59.83 144.84 47.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1189 ' ' CYS . . . . . 0.581 ' O ' ' N ' ' A' 1046 ' ' GLY . 3.1 t -147.25 -57.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 108.277 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1190 ' ' GLY . . . . . 0.448 ' HA2' ' HB2' ' A' 1045 ' ' LEU . . . 179.47 157.01 19.02 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1191 ' ' MET . . . . . . . . . . . . . 33.9 ttp -121.05 143.78 48.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1192 ' ' ILE . . . . . . . . . . . . . 2.0 mm -109.21 135.25 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -125.37 122.35 36.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1194 ' ' ILE . . . . . 0.942 HD11 ' HB2' ' A' 1037 ' ' PRO . 0.5 OUTLIER -117.78 141.2 37.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1195 ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' 1040 ' ' MET . . . -125.37 104.11 8.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 9.2 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.244 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . 175.04 159.03 20.53 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1034 ' ' HIS . . . . . . . . . . . . . 1.3 t60 -129.37 92.59 3.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 0.778 . . . . 0.0 109.59 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.68 123.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1036 ' ' VAL . . . . . . . . . . . . . 31.9 m -90.41 125.48 59.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -171.79 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.588 1.836 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1038 ' ' ARG . . . . . 0.918 ' HA ' HD13 ' A' 1071 ' ' LEU . 0.0 OUTLIER -136.25 163.32 30.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1039 ' ' VAL . . . . . . . . . . . . . 4.4 p -68.18 136.25 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1040 ' ' MET . . . . . 0.688 ' CG ' ' HB3' ' A' 1195 ' ' ALA . 0.0 OUTLIER -93.51 -44.21 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.49 157.05 8.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.239 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.17 138.65 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.77 150.5 39.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.901 ' O ' HD22 ' A' 1045 ' ' LEU . 3.1 tp -78.19 135.29 37.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1045 ' ' LEU . . . . . 0.901 HD22 ' O ' ' A' 1044 ' ' LEU . 1.5 mm? -143.12 24.47 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1046 ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -132.04 118.64 2.33 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.555 1.159 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.04 143.42 30.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.612 0.831 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1048 ' ' VAL . . . . . 0.717 HG12 ' O ' ' A' 1048 ' ' VAL . 81.2 t -91.1 26.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -94.01 -5.3 47.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 0.0 109.256 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1050 ' ' THR . . . . . 0.679 ' O ' HD12 ' A' 1051 ' ' LEU . 3.3 m -116.56 -35.08 4.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.374 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1051 ' ' LEU . . . . . 0.702 HD23 ' HD2' ' A' 1052 ' ' PRO . 0.1 OUTLIER -161.53 172.46 5.66 Favored Pre-proline 0 C--N 1.327 -0.408 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1052 ' ' PRO . . . . . 0.702 ' HD2' HD23 ' A' 1051 ' ' LEU . 18.3 Cg_endo -75.0 133.21 16.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.779 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 4.1 tp -71.06 -26.87 63.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1054 ' ' ARG . . . . . 0.465 ' CB ' ' HE2' ' A' 1055 ' ' LYS . 11.1 mmt180 -63.34 -47.69 81.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1055 ' ' LYS . . . . . 0.493 ' CG ' ' HG2' ' A' 1052 ' ' PRO . 3.4 mmtt -71.28 -36.92 71.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.404 ' O ' HG12 ' A' 1059 ' ' VAL . 3.3 t -61.93 -46.2 97.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.05 -35.76 82.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1058 ' ' ALA . . . . . 0.409 ' O ' ' HB ' ' A' 1062 ' ' THR . . . -61.07 -47.21 87.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1059 ' ' VAL . . . . . 0.694 HG21 ' HD2' ' A' 1144 ' ' PHE . 0.4 OUTLIER -69.89 -41.33 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1060 ' ' VAL . . . . . 0.414 ' O ' ' CG ' ' A' 1064 ' ' GLU . 3.4 t -59.84 -39.35 79.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.225 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1061 ' ' GLY . . . . . 0.502 ' HA2' ' CG2' ' A' 1076 ' ' THR . . . -74.85 -35.8 49.36 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1062 ' ' THR . . . . . 0.853 ' CG2' HG21 ' A' 1106 ' ' VAL . 0.6 OUTLIER -62.73 -39.24 93.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.413 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1063 ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' 1067 ' ' SER . . . -84.35 -46.3 11.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.369 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1064 ' ' GLU . . . . . 0.648 ' HB2' HG21 ' A' 1076 ' ' THR . 51.9 mm-40 -54.91 -44.74 74.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1065 ' ' ALA . . . . . 0.686 ' O ' HG22 ' A' 1073 ' ' VAL . . . -75.88 -22.31 56.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1066 ' ' SER . . . . . . . . . . . . . 21.0 t -114.23 33.19 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.922 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1067 ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' 1063 ' ' ALA . 38.0 m -82.9 -104.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1068 ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' 1067 ' ' SER . 0.1 OUTLIER 164.51 44.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.239 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1069 ' ' HIS . . . . . 0.424 ' HA ' ' HD3' ' A' 1070 ' ' PRO . 16.5 t60 -123.89 134.49 25.4 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.552 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1070 ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' 1069 ' ' HIS . 18.1 Cg_endo -75.08 55.81 4.1 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1071 ' ' LEU . . . . . 0.918 HD13 ' HA ' ' A' 1038 ' ' ARG . 0.1 OUTLIER 172.08 -49.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1072 ' ' GLY . . . . . 0.45 ' N ' ' HG ' ' A' 1071 ' ' LEU . . . -63.15 -47.6 86.88 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.542 1.151 . . . . 0.0 111.058 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1073 ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' 1065 ' ' ALA . 0.4 OUTLIER -60.95 -42.36 92.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -67.37 -35.53 79.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1075 ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' 1071 ' ' LEU . 2.4 t -61.64 -43.01 96.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1076 ' ' THR . . . . . 0.648 HG21 ' HB2' ' A' 1064 ' ' GLU . 0.2 OUTLIER -67.17 -45.28 77.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.392 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -47.24 80.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -41.1 97.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1079 ' ' CYS . . . . . 0.575 ' O ' HD12 ' A' 1083 ' ' LEU . 0.5 OUTLIER -63.95 -36.85 85.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 108.285 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1080 ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' 1085 ' ' THR . 0.0 OUTLIER -64.09 -42.9 96.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -62.93 -39.14 93.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 110.364 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.56 -21.49 48.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.152 . . . . 0.0 110.334 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1083 ' ' LEU . . . . . 0.575 HD12 ' O ' ' A' 1079 ' ' CYS . 4.1 mt -83.48 -23.13 32.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 86.2 25.76 35.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.048 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1085 ' ' THR . . . . . 0.515 ' O ' ' CG ' ' A' 1080 ' ' LYS . 0.2 OUTLIER -136.82 122.42 19.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.544 0.79 . . . . 0.0 110.413 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.23 23.92 13.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 86.9 m -65.95 149.94 49.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.604 1.19 . . . . 0.0 110.388 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1088 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 179.58 118.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1089 ' ' GLY . . . . . 0.493 ' CA ' HD11 ' A' 1112 ' ' ILE . . . 175.28 36.69 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1090 ' ' TYR . . . . . 0.8 ' OH ' HG12 ' A' 1109 ' ' VAL . 1.5 m-85 -98.26 160.4 14.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1091 ' ' CYS . . . . . 0.616 ' O ' ' HA ' ' A' 1106 ' ' VAL . 1.6 t -97.7 113.26 24.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.097 . . . . 0.0 108.307 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1092 ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' 1105 ' ' LYS . 16.9 p -94.72 162.03 13.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.422 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1093 ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' 1104 ' ' CYS . 0.8 OUTLIER -158.21 76.36 0.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 1.176 . . . . 0.0 109.323 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1094 ' ' PHE . . . . . 0.489 ' HA ' ' CB ' ' A' 1104 ' ' CYS . 6.5 p90 -74.39 168.12 20.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 179.28 125.47 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -95.45 123.2 38.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 44.5 t -109.83 123.86 35.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 135.65 19.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.515 1.797 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 77.54 16.17 80.57 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.41 1.068 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1100 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -137.82 -71.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 158.77 -139.13 6.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 47.6 pt -122.15 138.66 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1103 ' ' GLY . . . . . 0.451 ' HA3' HD12 ' A' 1147 ' ' LEU . . . -141.89 153.15 24.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1104 ' ' CYS . . . . . 0.489 ' CB ' ' HA ' ' A' 1094 ' ' PHE . 31.0 p -156.72 156.1 32.79 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1105 ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' 1092 ' ' THR . 16.6 mttt -123.47 151.93 42.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1106 ' ' VAL . . . . . 0.853 HG21 ' CG2' ' A' 1062 ' ' THR . 15.0 p -145.59 127.49 8.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1107 ' ' SER . . . . . 0.545 ' O ' ' ND2' ' A' 1108 ' ' ASN . 37.2 t -151.06 136.13 17.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1108 ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' 1107 ' ' SER . 0.6 OUTLIER 154.75 41.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1109 ' ' VAL . . . . . 0.8 HG12 ' OH ' ' A' 1090 ' ' TYR . 0.6 OUTLIER -83.91 -30.98 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' 1114 ' ' ALA . 0.5 OUTLIER -60.17 -44.44 95.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.235 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -79.99 -44.09 9.33 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.435 1.084 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1112 ' ' ILE . . . . . 0.595 HG13 ' CD1' ' A' 1090 ' ' TYR . 9.3 mm -57.64 -36.1 53.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1113 ' ' LEU . . . . . 0.703 ' C ' HD12 ' A' 1113 ' ' LEU . 0.4 OUTLIER -82.3 -38.4 24.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1114 ' ' ALA . . . . . 0.406 ' N ' HD12 ' A' 1113 ' ' LEU . . . -97.02 80.8 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 9.3 p80 -56.74 173.81 0.18 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.569 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 1.3 t -54.8 120.46 6.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -173.12 75.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -135.34 120.22 13.61 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.225 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.05 42.86 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.47 1.773 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.19 -78.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 17.0 t -158.27 -95.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 110.034 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1122 ' ' ALA . . . . . . . . . . . . . . . -158.29 149.13 16.16 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 114.7 4.08 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . -173.88 179.86 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1125 ' ' SER . . . . . . . . . . . . . 96.0 p -98.83 88.5 4.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1126 ' ' HIS . . . . . . . . . . . . . 5.3 t60 45.46 57.87 4.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 109.628 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.96 -13.09 56.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.361 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1128 ' ' ASN . . . . . . . . . . . . . 54.6 t30 -48.69 121.64 4.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 1.4 mp0 59.45 107.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . -168.36 63.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . 125.44 -65.19 0.56 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.73 162.11 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.993 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1133 ' ' LEU . . . . . 0.496 HD23 ' H ' ' A' 1133 ' ' LEU . 0.6 OUTLIER -80.89 149.85 67.88 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1134 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -177.65 3.62 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -154.76 158.14 39.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -150.17 -61.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.42 1.075 . . . . 0.0 110.322 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 16.1 mttt 68.07 135.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.24 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.29 124.36 32.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1139 ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' 1140 ' ' VAL . . . -81.89 119.94 24.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1140 ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' 1139 ' ' ALA . 0.2 OUTLIER -36.47 135.94 0.57 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1141 ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' 1140 ' ' VAL . 18.2 Cg_endo -74.92 176.65 9.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.53 1.805 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -84.13 127.79 34.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1143 ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' 1107 ' ' SER . 1.2 m -108.39 134.52 51.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1144 ' ' PHE . . . . . 0.694 ' HD2' HG21 ' A' 1059 ' ' VAL . 29.9 m-85 -110.04 142.11 41.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 95.0 p -115.95 129.02 56.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.028 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1146 ' ' VAL . . . . . 0.411 ' O ' HD13 ' A' 1147 ' ' LEU . 11.8 t -117.96 120.64 65.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1147 ' ' LEU . . . . . 0.57 HD22 ' N ' ' A' 1147 ' ' LEU . 0.4 OUTLIER -114.88 150.8 35.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1148 ' ' ILE . . . . . 0.686 ' N ' HD12 ' A' 1148 ' ' ILE . 0.1 OUTLIER -141.69 154.79 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1149 ' ' GLY . . . . . 0.562 ' HA3' ' CD2' ' A' 1153 ' ' TRP . . . 164.68 -174.86 40.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1150 ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' 1153 ' ' TRP . 7.3 m-80 -73.64 159.6 32.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1151 ' ' ARG . . . . . 0.475 HH21 ' HG3' ' A' 1173 ' ' GLU . 49.1 mtt-85 -47.07 -35.21 6.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.235 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1152 ' ' GLU . . . . . 0.463 ' OE2' ' CZ ' ' A' 1156 ' ' ARG . 1.8 tt0 -70.29 -36.08 74.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1153 ' ' TRP . . . . . 1.063 ' CH2' HD13 ' A' 1154 ' ' LEU . 0.0 OUTLIER -58.75 -54.41 47.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.015 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1154 ' ' LEU . . . . . 1.063 HD13 ' CH2' ' A' 1153 ' ' TRP . 1.1 tp -60.07 -39.19 85.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1155 ' ' ARG . . . . . 0.43 ' HA ' ' CB ' ' A' 1159 ' ' LEU . 16.6 tpt85 -56.8 -50.61 71.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.592 1.183 . . . . 0.0 110.357 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1156 ' ' ARG . . . . . 0.463 ' CZ ' ' OE2' ' A' 1152 ' ' GLU . 5.6 mtm-85 -66.95 -25.51 66.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 6.6 t30 -68.83 -39.2 80.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 147.53 61.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.43 ' CB ' ' HA ' ' A' 1155 ' ' ARG . 0.2 OUTLIER -120.27 -165.2 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 0.726 . . . . 0.0 109.28 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1160 ' ' THR . . . . . 0.644 HG22 ' H ' ' A' 1161 ' ' ILE . 2.5 m -114.12 -167.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.347 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1161 ' ' ILE . . . . . 0.644 ' H ' HG22 ' A' 1160 ' ' THR . 1.0 OUTLIER 67.51 159.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.346 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1162 ' ' SER . . . . . 0.456 ' HB3' ' CG2' ' A' 1165 ' ' VAL . 35.2 t -69.08 144.31 53.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.941 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1163 ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.2 OUTLIER -66.24 -35.79 81.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.77 -39.77 69.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1165 ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' 1162 ' ' SER . 54.5 t -65.72 -49.35 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1166 ' ' SER . . . . . . . . . . . . . 4.8 t -69.03 -37.02 78.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.179 . . . . 0.0 109.945 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1167 ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' 1163 ' ' SER . 11.8 t0 -66.04 -39.58 90.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1168 ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' 1172 ' ' HIS . . . -69.99 -40.5 75.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -49.3 73.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1170 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -43.95 97.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1171 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.64 -40.84 96.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.609 1.193 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1172 ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' 1168 ' ' ALA . 0.3 OUTLIER -54.64 -48.11 72.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.619 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1173 ' ' GLU . . . . . 0.475 ' HG3' HH21 ' A' 1151 ' ' ARG . 19.5 mm-40 -57.39 -46.62 83.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 1.3 ttm -64.09 -9.33 15.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.84 10.17 16.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -158.47 -57.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1177 ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' 1173 ' ' GLU . 57.5 mt-30 -125.94 174.73 8.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 110.25 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1178 ' ' THR . . . . . . . . . . . . . 3.6 m -96.27 119.3 34.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.362 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -114.26 127.6 55.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1180 ' ' ILE . . . . . . . . . . . . . 10.2 pt -144.12 130.69 16.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1181 ' ' LEU . . . . . 0.425 ' HG ' ' CB ' ' A' 1191 ' ' MET . 0.0 OUTLIER -108.26 143.66 36.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1182 ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' 1190 ' ' GLY . 1.5 m -119.65 123.12 70.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1183 ' ' ALA . . . . . 0.843 ' HB2' HD21 ' A' 1154 ' ' LEU . . . -116.65 150.33 38.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1184 ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' 1184 ' ' ILE . 1.4 tt -109.12 113.69 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 27.6 t0 56.52 39.8 29.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 0.0 109.239 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.71 15.61 77.88 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1187 ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' 1184 ' ' ILE . 2.1 t -116.55 154.82 18.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1188 ' ' LEU . . . . . 0.763 HD21 ' CD1' ' A' 1045 ' ' LEU . 0.4 OUTLIER -59.38 143.69 48.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1189 ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' 1046 ' ' GLY . 1.7 t -144.54 -67.31 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 108.369 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1190 ' ' GLY . . . . . 0.486 ' HA2' ' HB2' ' A' 1045 ' ' LEU . . . -169.57 160.6 33.82 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.426 1.079 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1191 ' ' MET . . . . . 0.425 ' CB ' ' HG ' ' A' 1181 ' ' LEU . 5.7 ptm -124.39 140.87 52.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 0.742 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1192 ' ' ILE . . . . . . . . . . . . . 37.1 mt -109.42 134.98 49.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -122.67 118.98 29.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1194 ' ' ILE . . . . . . . . . . . . . 3.0 mt -106.53 140.25 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1195 ' ' ALA . . . . . 0.688 ' HB3' ' CG ' ' A' 1040 ' ' MET . . . -141.03 103.21 4.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.606 1.191 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1196 ' ' ASP . . . . . 0.96 ' OXT' ' OD1' ' A' 1196 ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1033 ' ' GLY . . . . . 0.457 ' O ' ' CG ' ' A' 1034 ' ' HIS . . . 151.86 135.34 2.25 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.459 1.099 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1034 ' ' HIS . . . . . 0.457 ' CG ' ' O ' ' A' 1033 ' ' GLY . 17.2 m80 -164.3 78.29 0.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 0.783 . . . . 0.0 109.547 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 1.4 mtm -156.08 126.94 6.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1036 ' ' VAL . . . . . . . . . . . . . 3.8 t -110.43 131.83 21.84 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.23 18.73 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.781 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1038 ' ' ARG . . . . . 0.42 ' HB3' HD12 ' A' 1071 ' ' LEU . 0.5 OUTLIER -135.33 162.94 31.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1039 ' ' VAL . . . . . 0.811 HG21 HG21 ' A' 1075 ' ' VAL . 1.0 OUTLIER -69.73 131.63 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.234 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1040 ' ' MET . . . . . 0.685 ' HB2' ' HB3' ' A' 1195 ' ' ALA . 1.1 ttt -100.75 -43.55 6.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 2.0 ptt85 -169.37 156.72 7.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.327 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 1.7 p -120.06 139.26 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.51 150.62 40.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 18.1 tp -76.51 140.06 41.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1045 ' ' LEU . . . . . 0.552 ' O ' ' CB ' ' A' 1188 ' ' LEU . 1.5 tp -144.45 23.32 1.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1046 ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -85.21 -145.97 8.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.148 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 8.1 t0 -179.54 174.38 0.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 0.787 . . . . 0.0 109.263 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1048 ' ' VAL . . . . . . . . . . . . . 3.0 t -87.71 45.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1049 ' ' ALA . . . . . 0.532 ' O ' ' CB ' ' A' 1050 ' ' THR . . . -79.4 6.35 10.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1050 ' ' THR . . . . . 0.532 ' CB ' ' O ' ' A' 1049 ' ' ALA . 2.5 m 84.53 6.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.455 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1051 ' ' LEU . . . . . 0.449 HD23 ' HB3' ' A' 1049 ' ' ALA . 2.5 pp -80.9 138.53 49.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1052 ' ' PRO . . . . . 0.457 ' HG2' ' CB ' ' A' 1055 ' ' LYS . 18.2 Cg_endo -74.98 132.16 15.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.06 -40.37 62.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 109.36 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -62.27 -40.91 97.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1055 ' ' LYS . . . . . 0.457 ' CB ' ' HG2' ' A' 1052 ' ' PRO . 0.0 OUTLIER -66.62 -50.14 63.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' 1060 ' ' VAL . 0.4 OUTLIER -58.24 -40.16 76.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.08 -35.27 80.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1058 ' ' ALA . . . . . 0.429 ' O ' ' HB ' ' A' 1062 ' ' THR . . . -71.42 -33.7 69.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1059 ' ' VAL . . . . . 0.615 ' O ' HG22 ' A' 1062 ' ' THR . 15.0 t -70.79 -50.8 41.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1060 ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' 1056 ' ' VAL . 40.5 t -69.91 -34.27 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1061 ' ' GLY . . . . . . . . . . . . . . . -69.0 -48.74 45.82 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1062 ' ' THR . . . . . 0.615 HG22 ' O ' ' A' 1059 ' ' VAL . 15.0 t -60.47 -36.47 78.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 0.796 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1063 ' ' ALA . . . . . 0.493 ' HA ' HG21 ' A' 1092 ' ' THR . . . -73.04 -52.88 12.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.369 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1064 ' ' GLU . . . . . 0.656 ' O ' HG22 ' A' 1073 ' ' VAL . 7.1 mt-10 -54.34 -45.92 72.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1065 ' ' ALA . . . . . 0.816 ' HB2' ' HB ' ' A' 1076 ' ' THR . . . -62.61 -22.89 66.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.41 1.069 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1066 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.95 34.29 5.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.936 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1067 ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' 1063 ' ' ALA . 41.9 t -89.24 -147.98 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 110.028 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1068 ' ' GLU . . . . . 0.417 ' N ' ' OG ' ' A' 1067 ' ' SER . 0.7 OUTLIER -120.43 -4.07 9.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1069 ' ' HIS . . . . . 0.427 ' HA ' ' HD3' ' A' 1070 ' ' PRO . 3.1 t60 -82.43 133.88 49.31 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.58 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1070 ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' 1069 ' ' HIS . 18.0 Cg_endo -75.04 -27.0 10.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 110.947 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1071 ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' 1075 ' ' VAL . 1.0 OUTLIER -98.71 -27.61 13.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -65.99 -49.86 55.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1073 ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' 1065 ' ' ALA . 33.8 t -62.7 -37.13 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.71 79.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1075 ' ' VAL . . . . . 0.811 HG21 HG21 ' A' 1039 ' ' VAL . 3.2 t -62.49 -42.02 94.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1076 ' ' THR . . . . . 0.816 ' HB ' ' HB2' ' A' 1065 ' ' ALA . 0.2 OUTLIER -70.06 -44.66 68.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.468 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -48.1 81.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.232 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 84.2 t80 -61.93 -52.07 65.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1079 ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' 1083 ' ' LEU . 1.0 OUTLIER -58.97 -32.49 69.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.403 1.064 . . . . 0.0 108.321 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1080 ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' 1085 ' ' THR . 0.0 OUTLIER -61.38 -46.5 89.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -63.2 -39.03 93.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -20.87 48.59 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.459 1.1 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1083 ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' 1079 ' ' CYS . 5.7 mt -84.49 -23.41 29.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 76.49 25.49 65.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.549 1.155 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1085 ' ' THR . . . . . 0.504 ' O ' ' CG ' ' A' 1080 ' ' LYS . 2.2 p -135.95 120.19 17.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1086 ' ' GLU . . . . . 0.441 ' O ' ' O ' ' A' 1087 ' ' THR . 2.9 pm0 -44.59 -35.06 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.272 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.577 HG23 ' N ' ' A' 1088 ' ' LEU . 0.6 OUTLIER 47.55 -178.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1088 ' ' LEU . . . . . 0.791 HD13 ' O ' ' A' 1088 ' ' LEU . 0.5 OUTLIER 68.27 -0.04 2.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1089 ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' 1087 ' ' THR . . . -68.96 -14.3 67.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1090 ' ' TYR . . . . . 0.646 ' OH ' HG23 ' A' 1109 ' ' VAL . 2.8 m-85 -81.22 160.0 24.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.433 0.726 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1091 ' ' CYS . . . . . 0.758 ' O ' ' HA ' ' A' 1106 ' ' VAL . 5.6 t -93.59 135.39 34.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1092 ' ' THR . . . . . 0.493 HG21 ' HA ' ' A' 1063 ' ' ALA . 54.9 p -118.2 163.33 16.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -165.1 81.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1094 ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' 1094 ' ' PHE . 0.1 OUTLIER -74.24 171.91 12.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 2.3 tt0 175.8 151.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -110.85 133.43 53.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1097 ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' 1098 ' ' PRO . 14.3 t -112.7 127.22 27.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1098 ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' 1097 ' ' VAL . 18.4 Cg_endo -74.94 142.06 27.6 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 65.74 27.34 72.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 110.971 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1100 ' ' CYS . . . . . 0.547 ' HB3' ' CH2' ' A' 1153 ' ' TRP . 7.4 m -148.67 -67.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 155.76 -124.65 1.52 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1102 ' ' ILE . . . . . 0.407 ' CD1' ' HA2' ' A' 1149 ' ' GLY . 0.8 OUTLIER -130.2 160.64 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 0.0 109.272 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -161.2 168.72 36.57 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1104 ' ' CYS . . . . . 0.469 ' CB ' ' HA ' ' A' 1094 ' ' PHE . 28.4 p -161.64 159.61 27.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1105 ' ' LYS . . . . . 0.457 ' HE3' HG21 ' A' 1143 ' ' THR . 20.2 ttpt -129.25 154.74 46.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1106 ' ' VAL . . . . . 0.758 ' HA ' ' O ' ' A' 1091 ' ' CYS . 4.0 p -140.61 141.68 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 109.262 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1107 ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' 1091 ' ' CYS . 79.9 p -151.69 138.46 18.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1108 ' ' ASN . . . . . 0.533 ' CB ' ' HA ' ' A' 1090 ' ' TYR . 0.4 OUTLIER 162.72 -38.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1109 ' ' VAL . . . . . 0.649 ' O ' HD23 ' A' 1113 ' ' LEU . 5.8 p -48.95 -24.43 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.449 ' CD ' ' N ' ' A' 1111 ' ' GLY . 3.1 pp20? -65.48 -44.73 86.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1111 ' ' GLY . . . . . 0.449 ' N ' ' CD ' ' A' 1110 ' ' GLU . . . -75.48 -25.53 67.74 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1112 ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' 1112 ' ' ILE . 32.8 mm -66.27 -49.1 78.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 0.737 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1113 ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' 1109 ' ' VAL . 1.0 OUTLIER -73.2 -36.95 66.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1114 ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' 1113 ' ' LEU . . . 67.96 -92.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 8.8 t-80 79.21 109.5 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 2.1 m 73.9 176.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.949 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 5.8 tt0 64.49 57.1 1.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.262 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.8 147.72 67.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 82.06 2.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.555 1.818 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -169.09 -42.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1121 ' ' SER . . . . . 0.465 ' O ' ' HB2' ' A' 1122 ' ' ALA . 52.4 p -58.95 134.54 57.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1122 ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' 1121 ' ' SER . . . 177.59 90.88 0.13 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 119.63 5.72 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.516 1.798 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . 58.68 164.43 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1125 ' ' SER . . . . . . . . . . . . . 49.5 m -134.67 -74.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 1.169 . . . . 0.0 110.061 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1126 ' ' HIS . . . . . . . . . . . . . 19.8 m80 -112.5 -31.69 6.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.587 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.78 -14.79 35.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1128 ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -39.96 129.69 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.216 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1129 ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' 1130 ' ' ALA . 1.3 mt-10 -121.31 -55.91 1.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.347 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1130 ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' 1129 ' ' GLU . . . 179.02 132.61 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . 124.14 116.85 2.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 63.3 p -177.37 158.7 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 110.027 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1133 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.58 154.7 38.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1134 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -43.42 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . 64.85 98.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -59.27 2.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.63 161.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.4 123.71 13.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.2 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -167.17 73.12 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1140 ' ' VAL . . . . . 0.77 HG23 ' HD2' ' A' 1141 ' ' PRO . 1.8 p -57.77 144.55 73.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1141 ' ' PRO . . . . . 0.77 ' HD2' HG23 ' A' 1140 ' ' VAL . 18.4 Cg_endo -74.96 138.08 22.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.541 1.811 . . . . 0.0 111.057 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -86.9 113.14 22.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1143 ' ' THR . . . . . 0.457 HG21 ' HE3' ' A' 1105 ' ' LYS . 1.4 m -121.5 134.11 55.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1144 ' ' PHE . . . . . 0.646 ' CE2' HG11 ' A' 1109 ' ' VAL . 31.5 m-85 -107.2 141.44 38.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 41.6 p -119.67 127.79 53.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.024 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1146 ' ' VAL . . . . . 0.818 HG22 HD12 ' A' 1184 ' ' ILE . 53.2 t -114.15 139.38 40.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 13.4 mt -107.82 142.2 38.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1148 ' ' ILE . . . . . 0.487 HG23 HG22 ' A' 1182 ' ' VAL . 0.5 OUTLIER -129.5 133.63 64.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.418 1.074 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1149 ' ' GLY . . . . . 0.407 ' HA2' ' CD1' ' A' 1102 ' ' ILE . . . 172.75 177.03 41.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -68.53 176.6 2.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.75 . . . . 0.0 109.279 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1151 ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -64.38 -27.28 68.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.367 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1152 ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.35 -43.55 81.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1153 ' ' TRP . . . . . 0.547 ' CH2' ' HB3' ' A' 1100 ' ' CYS . 11.8 t-105 -58.68 -53.81 54.12 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1154 ' ' LEU . . . . . 1.019 HD11 ' HB2' ' A' 1183 ' ' ALA . 2.8 mm? -60.32 -40.48 90.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1155 ' ' ARG . . . . . 0.541 ' NH2' HD12 ' A' 1159 ' ' LEU . 0.0 OUTLIER -56.29 -50.95 69.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 110.233 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -72.11 -21.1 61.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -63.32 -47.41 82.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 161.09 56.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.541 HD12 ' NH2' ' A' 1155 ' ' ARG . 0.5 OUTLIER -124.0 -163.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1160 ' ' THR . . . . . 0.641 HG22 ' H ' ' A' 1161 ' ' ILE . 2.5 m -106.81 -166.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.384 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1161 ' ' ILE . . . . . 0.641 ' H ' HG22 ' A' 1160 ' ' THR . 3.0 mt 62.86 155.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1162 ' ' SER . . . . . 0.451 ' HB3' ' CG2' ' A' 1165 ' ' VAL . 32.5 t -70.97 144.77 50.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1163 ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' 1167 ' ' ASP . 3.7 m -65.13 -37.04 86.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 6.5 t0 -70.73 -42.79 70.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1165 ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' 1162 ' ' SER . 69.0 t -62.93 -49.6 82.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1166 ' ' SER . . . . . 0.487 ' CB ' ' HG2' ' A' 1155 ' ' ARG . 5.6 t -68.8 -32.52 72.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.034 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1167 ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' 1163 ' ' SER . 2.9 t70 -64.99 -43.91 91.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -66.93 -38.54 86.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 2.4 tpt -65.07 -50.79 64.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1170 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.94 -45.59 92.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 110.428 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1171 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -39.56 92.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1172 ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' A' 1175 ' ' LYS . 7.7 t-80 -53.95 -45.87 71.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.624 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1173 ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' 1177 ' ' GLN . 1.9 tt0 -60.87 -36.69 79.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 4.5 mtp -64.4 -10.99 28.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1175 ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' 1172 ' ' HIS . 26.7 mttt -89.8 11.49 19.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -156.34 -56.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.427 1.08 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1177 ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' 1173 ' ' GLU . 1.7 mt-30 -125.76 174.46 8.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1178 ' ' THR . . . . . . . . . . . . . 1.1 m -132.0 118.47 19.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -134.28 135.63 42.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1180 ' ' ILE . . . . . 0.555 HG13 HG22 ' A' 1192 ' ' ILE . 13.6 pt -112.56 146.85 16.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.429 1.081 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1181 ' ' LEU . . . . . . . . . . . . . 6.4 mp -99.38 138.56 36.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.625 1.203 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1182 ' ' VAL . . . . . 0.487 HG22 HG23 ' A' 1148 ' ' ILE . 0.9 OUTLIER -118.27 120.39 64.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1183 ' ' ALA . . . . . 1.019 ' HB2' HD11 ' A' 1154 ' ' LEU . . . -115.97 150.51 37.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1184 ' ' ILE . . . . . 0.818 HD12 HG22 ' A' 1146 ' ' VAL . 1.5 tp -109.32 111.27 35.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 6.0 t0 56.29 40.55 29.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.33 15.01 76.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1187 ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' 1184 ' ' ILE . 2.2 t -115.98 154.12 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1188 ' ' LEU . . . . . 0.552 ' CB ' ' O ' ' A' 1045 ' ' LEU . 0.4 OUTLIER -59.94 141.84 54.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1189 ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' 1046 ' ' GLY . 2.1 t -144.71 -64.59 0.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 108.258 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1190 ' ' GLY . . . . . 0.548 ' HA2' ' CB ' ' A' 1045 ' ' LEU . . . 177.88 159.02 22.0 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.099 . . . . 0.0 111.068 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1191 ' ' MET . . . . . 0.479 ' SD ' HD13 ' A' 1045 ' ' LEU . 20.8 ptt? -127.52 148.64 50.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1192 ' ' ILE . . . . . 0.555 HG22 HG13 ' A' 1180 ' ' ILE . 0.6 OUTLIER -107.93 133.97 51.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -106.89 128.43 54.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.091 . . . . 0.0 109.235 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1194 ' ' ILE . . . . . 0.433 ' CD1' ' HA ' ' A' 1039 ' ' VAL . 1.4 mp -111.97 130.2 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.369 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1195 ' ' ALA . . . . . 0.685 ' HB3' ' HB2' ' A' 1040 ' ' MET . . . -139.37 109.94 6.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.234 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1196 ' ' ASP . . . . . 0.511 ' OXT' ' O ' ' A' 1195 ' ' ALA . 3.9 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . 121.29 169.84 13.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.46 1.1 . . . . 0.0 110.953 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1034 ' ' HIS . . . . . . . . . . . . . 1.8 t60 -130.82 110.4 11.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 0.808 . . . . 0.0 109.58 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 2.3 ttt -176.97 129.78 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.162 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1036 ' ' VAL . . . . . . . . . . . . . 34.7 m -125.39 124.28 25.12 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -165.68 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.504 1.791 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1038 ' ' ARG . . . . . . . . . . . . . 13.9 mmt-85 -108.79 164.16 12.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1039 ' ' VAL . . . . . 0.445 HG23 HG23 ' A' 1192 ' ' ILE . 3.7 p -68.13 136.75 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1040 ' ' MET . . . . . 0.792 ' HG3' ' HB3' ' A' 1195 ' ' ALA . 0.2 OUTLIER -96.06 -42.16 8.38 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -167.92 157.14 9.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 3.0 t -119.72 137.79 52.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.73 138.75 42.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1044 ' ' LEU . . . . . 0.428 ' O ' HD12 ' A' 1045 ' ' LEU . 4.5 mt -80.28 131.7 35.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1045 ' ' LEU . . . . . 0.669 ' O ' HD23 ' A' 1188 ' ' LEU . 0.2 OUTLIER -144.98 25.85 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 109.3 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1046 ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -127.67 117.2 2.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 1.1 t0 -70.47 116.72 11.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.316 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1048 ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' 1051 ' ' LEU . 14.1 t -93.22 33.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -92.6 -10.05 38.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1050 ' ' THR . . . . . . . . . . . . . 2.0 m -127.77 -36.67 2.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.421 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1051 ' ' LEU . . . . . 0.707 ' O ' HG13 ' A' 1048 ' ' VAL . 1.7 mt -113.82 149.49 41.89 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1052 ' ' PRO . . . . . 0.444 ' HG2' ' CB ' ' A' 1055 ' ' LYS . 18.5 Cg_endo -74.93 138.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.461 1.769 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1053 ' ' LEU . . . . . 0.652 ' HB2' HG21 ' A' 1048 ' ' VAL . 10.8 tp -73.85 -40.43 63.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.367 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -59.6 -48.26 82.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 110.364 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1055 ' ' LYS . . . . . 0.444 ' CB ' ' HG2' ' A' 1052 ' ' PRO . 0.0 OUTLIER -64.1 -46.08 85.8 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' 1060 ' ' VAL . 2.5 t -57.93 -40.5 76.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1057 ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' 1057 ' ' LEU . 0.2 OUTLIER -64.93 -35.67 81.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -68.68 -46.57 68.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1059 ' ' VAL . . . . . 0.63 HG22 HG11 ' A' 1106 ' ' VAL . 0.4 OUTLIER -61.48 -46.14 97.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.384 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1060 ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' 1056 ' ' VAL . 79.9 t -67.52 -35.57 73.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1061 ' ' GLY . . . . . 0.648 ' HA2' HG22 ' A' 1076 ' ' THR . . . -61.87 -47.1 92.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.553 1.158 . . . . 0.0 111.07 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1062 ' ' THR . . . . . 0.566 ' CG2' ' HB2' ' A' 1090 ' ' TYR . 11.1 m -75.53 -33.28 60.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 110.35 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1063 ' ' ALA . . . . . . . . . . . . . . . -56.81 -54.22 48.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1064 ' ' GLU . . . . . 0.767 ' O ' HG22 ' A' 1073 ' ' VAL . 1.8 mt-10 -75.43 -46.17 34.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.357 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1065 ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' 1061 ' ' GLY . . . -55.71 -23.06 26.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1066 ' ' SER . . . . . . . . . . . . . 7.2 t -113.27 28.21 8.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1067 ' ' SER . . . . . 0.557 ' HA ' ' CZ ' ' A' 1094 ' ' PHE . 82.8 p -103.84 159.61 15.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1068 ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -83.5 34.69 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1069 ' ' HIS . . . . . 0.438 ' CD2' ' HD2' ' A' 1070 ' ' PRO . 0.5 OUTLIER -113.8 123.5 32.8 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.591 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1070 ' ' PRO . . . . . 0.438 ' HD2' ' CD2' ' A' 1069 ' ' HIS . 18.5 Cg_endo -74.93 4.11 4.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.517 1.799 . . . . 0.0 111.015 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1071 ' ' LEU . . . . . 0.51 HD12 HG23 ' A' 1075 ' ' VAL . 0.1 OUTLIER -122.37 -44.91 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1072 ' ' GLY . . . . . 0.413 ' O ' ' OG1' ' A' 1076 ' ' THR . . . -63.69 -39.48 97.56 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1073 ' ' VAL . . . . . 0.767 HG22 ' O ' ' A' 1064 ' ' GLU . 92.8 t -66.97 -44.46 88.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.451 0.736 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1074 ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' 1078 ' ' TYR . . . -66.28 -35.51 80.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1075 ' ' VAL . . . . . 0.51 HG23 HD12 ' A' 1071 ' ' LEU . 2.5 t -60.9 -48.56 88.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1076 ' ' THR . . . . . 0.648 HG22 ' HA2' ' A' 1061 ' ' GLY . 0.3 OUTLIER -70.21 -44.18 69.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.37 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -41.68 77.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1078 ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' 1074 ' ' ALA . 2.5 t80 -66.74 -46.18 76.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -58.99 -36.67 75.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 108.234 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -40.95 85.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -40.94 98.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.237 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -78.32 -21.37 49.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.245 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 9.5 mt -83.97 -23.14 31.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 79.38 31.73 40.74 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.561 1.163 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1085 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.96 122.28 19.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 0.792 . . . . 0.0 110.342 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -97.66 13.39 30.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' 1088 ' ' LEU . 25.6 m -53.58 146.25 13.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1088 ' ' LEU . . . . . 0.459 ' CB ' ' O ' ' A' 1087 ' ' THR . 0.3 OUTLIER 166.45 156.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 134.82 36.42 0.22 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1090 ' ' TYR . . . . . 0.645 ' OH ' HG23 ' A' 1109 ' ' VAL . 2.8 m-85 -93.68 161.67 14.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.74 . . . . 0.0 110.968 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1091 ' ' CYS . . . . . 0.614 ' O ' ' HA ' ' A' 1106 ' ' VAL . 16.5 t -95.31 113.39 25.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 108.287 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1092 ' ' THR . . . . . 0.536 ' HB ' ' CE1' ' A' 1094 ' ' PHE . 2.7 p -95.71 163.33 13.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -154.99 74.37 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1094 ' ' PHE . . . . . 0.557 ' CZ ' ' HA ' ' A' 1067 ' ' SER . 17.0 m-85 -77.18 133.75 38.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -154.27 132.77 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -90.72 128.23 36.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 9.7 m -114.02 131.43 23.17 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 152.16 40.1 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.449 1.763 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 62.7 20.86 62.29 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.544 1.153 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1100 ' ' CYS . . . . . 0.582 ' SG ' ' CZ3' ' A' 1153 ' ' TRP . 1.6 m -144.48 -74.63 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 159.65 -130.35 2.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 6.3 pt -126.21 135.86 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 0.742 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -133.01 169.58 22.5 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.059 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1104 ' ' CYS . . . . . . . . . . . . . 3.5 p -162.88 139.07 7.24 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1105 ' ' LYS . . . . . 0.476 ' O ' ' HA ' ' A' 1092 ' ' THR . 3.6 mttt -108.23 154.33 21.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.593 1.183 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1106 ' ' VAL . . . . . 0.63 HG11 HG22 ' A' 1059 ' ' VAL . 5.8 p -141.78 130.18 22.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1107 ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' 1108 ' ' ASN . 24.7 p -150.1 135.79 18.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1108 ' ' ASN . . . . . 0.533 ' CB ' ' HA ' ' A' 1090 ' ' TYR . 0.2 OUTLIER 161.48 -27.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1109 ' ' VAL . . . . . 0.645 HG23 ' OH ' ' A' 1090 ' ' TYR . 7.6 p -48.55 -25.23 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -45.68 85.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -75.81 -32.53 53.46 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1112 ' ' ILE . . . . . 0.419 ' O ' ' CE1' ' A' 1115 ' ' HIS . 44.8 mm -67.88 -34.27 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1113 ' ' LEU . . . . . 0.765 ' C ' HD12 ' A' 1113 ' ' LEU . 0.3 OUTLIER -85.28 -36.04 21.13 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1114 ' ' ALA . . . . . 0.411 ' N ' HD12 ' A' 1113 ' ' LEU . . . -118.55 117.75 29.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1115 ' ' HIS . . . . . 0.419 ' CE1' ' O ' ' A' 1112 ' ' ILE . 0.7 OUTLIER -177.82 -176.5 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.628 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.2 179.02 4.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.432 1.082 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -140.53 65.57 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.49 120.12 79.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 119.51 5.7 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.781 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 68.14 123.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 17.0 p -94.88 -96.23 0.17 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.572 1.17 . . . . 0.0 110.033 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1122 ' ' ALA . . . . . 0.671 ' HB1' HD13 ' A' 1127 ' ' LEU . . . -158.15 70.2 3.95 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 118.07 5.15 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.524 1.802 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1124 ' ' ALA . . . . . 0.553 ' CB ' HD12 ' A' 1127 ' ' LEU . . . -163.97 -147.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1125 ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' 1126 ' ' HIS . 45.7 m -102.69 61.08 0.81 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1126 ' ' HIS . . . . . 0.406 ' CB ' ' O ' ' A' 1125 ' ' SER . 8.1 t60 80.39 53.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.617 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.671 HD13 ' HB1' ' A' 1122 ' ' ALA . 0.3 OUTLIER -60.72 -15.15 26.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1128 ' ' ASN . . . . . . . . . . . . . 34.5 t30 -58.89 90.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.25 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -132.73 32.41 3.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . -147.75 -167.79 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . 158.01 86.16 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 1.8 t -175.29 122.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 110.015 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1133 ' ' LEU . . . . . . . . . . . . . 4.5 mp -124.8 155.41 70.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1134 ' ' PRO . . . . . 0.405 ' O ' ' HB3' ' A' 1135 ' ' ALA . 18.2 Cg_endo -75.11 -58.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.532 1.806 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1135 ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' 1134 ' ' PRO . . . 66.37 79.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -96.03 -60.79 1.56 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.07 . . . . 0.0 110.256 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.75 157.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.45 106.18 7.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1139 ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' 1140 ' ' VAL . . . -156.62 67.48 0.56 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.072 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1140 ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' 1139 ' ' ALA . 0.2 OUTLIER -37.77 134.62 0.81 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1141 ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' 1140 ' ' VAL . 18.3 Cg_endo -75.01 144.04 29.75 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.567 1.825 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.14 141.76 32.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1143 ' ' THR . . . . . . . . . . . . . 8.5 t -121.38 135.51 55.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.405 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -105.25 139.7 39.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 15.9 t -119.72 130.66 55.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 0.0 110.019 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1146 ' ' VAL . . . . . 0.688 HG22 HD12 ' A' 1184 ' ' ILE . 57.8 t -120.34 128.7 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1147 ' ' LEU . . . . . 0.451 ' O ' HD21 ' A' 1154 ' ' LEU . 1.1 mp -108.05 120.12 41.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1148 ' ' ILE . . . . . 1.029 HG22 HG13 ' A' 1182 ' ' VAL . 0.1 OUTLIER -120.58 157.39 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 166.16 -154.63 25.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.584 1.178 . . . . 0.0 110.965 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 5.4 m120 -68.78 142.88 54.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.761 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1151 ' ' ARG . . . . . 0.474 ' O ' ' CG ' ' A' 1155 ' ' ARG . 3.1 mtm180 -54.69 -27.3 39.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1152 ' ' GLU . . . . . 0.468 ' CB ' ' HA ' ' A' 1167 ' ' ASP . 0.5 OUTLIER -70.03 -38.89 76.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.236 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1153 ' ' TRP . . . . . 0.582 ' CZ3' ' SG ' ' A' 1100 ' ' CYS . 0.1 OUTLIER -74.03 -52.32 13.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 107.988 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1154 ' ' LEU . . . . . 1.036 HD11 ' HB2' ' A' 1183 ' ' ALA . 0.1 OUTLIER -55.97 -47.14 78.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1155 ' ' ARG . . . . . 0.493 ' HB3' ' CB ' ' A' 1160 ' ' THR . 0.9 OUTLIER -62.29 -50.32 72.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -64.94 -16.42 63.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 43.3 t30 -76.52 -66.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1158 ' ' GLY . . . . . 0.993 ' O ' HD23 ' A' 1159 ' ' LEU . . . -63.4 -67.73 1.95 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.488 1.118 . . . . 0.0 111.072 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.993 HD23 ' O ' ' A' 1158 ' ' GLY . 0.0 OUTLIER 177.18 122.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1160 ' ' THR . . . . . 0.604 HG22 ' H ' ' A' 1161 ' ' ILE . 62.2 m -162.69 177.45 9.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 110.364 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1161 ' ' ILE . . . . . 0.724 HG23 ' N ' ' A' 1162 ' ' SER . 0.4 OUTLIER -59.62 -153.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.323 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1162 ' ' SER . . . . . 0.724 ' N ' HG23 ' A' 1161 ' ' ILE . 47.9 t -66.67 143.39 57.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.048 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1163 ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.4 OUTLIER -66.28 -32.7 74.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.028 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 2.4 t0 -70.75 -39.24 73.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 19.3 t -69.95 -49.34 57.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.443 1.09 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1166 ' ' SER . . . . . . . . . . . . . 4.0 t -67.46 -33.28 74.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1167 ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' 1163 ' ' SER . 1.1 t70 -66.32 -42.7 87.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -66.88 -36.55 82.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 5.7 mmt -65.19 -48.74 72.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1170 ' ' THR . . . . . . . . . . . . . 3.0 m -66.52 -45.66 78.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1171 ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.8 OUTLIER -58.28 -41.63 84.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.38 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.96 -47.21 86.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.586 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1173 ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -65.71 -37.73 87.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 8.0 ttt -66.92 -9.35 37.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 -10.91 44.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -119.17 -57.37 0.26 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.404 1.065 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1177 ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -126.45 174.88 8.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1178 ' ' THR . . . . . . . . . . . . . 78.5 m -103.2 123.1 46.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.391 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1179 ' ' ALA . . . . . 0.467 ' HB1' ' CZ ' ' A' 1151 ' ' ARG . . . -130.93 128.07 39.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1180 ' ' ILE . . . . . . . . . . . . . 30.6 pt -134.09 129.22 53.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1181 ' ' LEU . . . . . 0.608 HD22 ' CB ' ' A' 1191 ' ' MET . 0.0 OUTLIER -101.75 133.84 45.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1182 ' ' VAL . . . . . 1.029 HG13 HG22 ' A' 1148 ' ' ILE . 60.9 t -119.69 120.15 62.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1183 ' ' ALA . . . . . 1.036 ' HB2' HD11 ' A' 1154 ' ' LEU . . . -116.5 151.6 35.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1184 ' ' ILE . . . . . 0.688 HD12 HG22 ' A' 1146 ' ' VAL . 1.2 tt -108.63 113.56 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 1.6 t70 55.74 40.49 30.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.14 14.67 76.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1187 ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' 1184 ' ' ILE . 2.3 t -114.12 153.74 15.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.492 0.76 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1188 ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' 1045 ' ' LEU . 0.3 OUTLIER -60.84 143.26 55.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1189 ' ' CYS . . . . . 0.593 ' O ' ' N ' ' A' 1046 ' ' GLY . 2.8 t -145.39 -62.63 0.34 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 108.308 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1190 ' ' GLY . . . . . 0.476 ' O ' ' HB ' ' A' 1182 ' ' VAL . . . 177.09 158.67 20.87 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1191 ' ' MET . . . . . 0.608 ' CB ' HD22 ' A' 1181 ' ' LEU . 0.2 OUTLIER -124.55 148.14 47.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 110.997 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1192 ' ' ILE . . . . . 0.445 HG23 HG23 ' A' 1039 ' ' VAL . 19.5 mt -109.01 134.4 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -118.58 125.66 50.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1194 ' ' ILE . . . . . 0.433 ' CG1' ' HA ' ' A' 1039 ' ' VAL . 4.1 mt -112.85 137.32 46.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1195 ' ' ALA . . . . . 0.792 ' HB3' ' HG3' ' A' 1040 ' ' MET . . . -141.1 106.41 5.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 22.2 t0 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . -85.55 -151.5 16.22 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1034 ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -112.89 64.56 0.64 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 0.75 . . . . 0.0 109.579 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.44 100.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1036 ' ' VAL . . . . . 0.562 HG23 HD13 ' A' 1071 ' ' LEU . 29.7 m -117.8 145.15 35.9 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1037 ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' 1036 ' ' VAL . 18.5 Cg_endo -74.99 165.82 30.51 Favored 'Trans proline' 0 C--N 1.359 1.079 0 O-C-N 124.503 1.791 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1038 ' ' ARG . . . . . 0.876 ' HA ' HD21 ' A' 1071 ' ' LEU . 0.2 OUTLIER -108.8 163.45 13.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1039 ' ' VAL . . . . . 0.463 ' CG1' HG21 ' A' 1075 ' ' VAL . 4.9 m -67.73 135.92 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1040 ' ' MET . . . . . 0.49 ' HB2' ' HB3' ' A' 1195 ' ' ALA . 8.1 tpt -94.34 -42.41 8.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1041 ' ' ARG . . . . . 0.501 ' HG2' ' HB3' ' A' 1193 ' ' ALA . 0.0 OUTLIER -168.63 156.91 8.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -116.77 137.21 51.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.47 130.34 54.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.24 110.86 19.91 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1045 ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' 1189 ' ' CYS . 34.4 tp -142.42 84.86 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.223 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1046 ' ' GLY . . . . . 0.404 ' HA2' ' C ' ' A' 1188 ' ' LEU . . . -141.74 -141.99 4.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.439 1.087 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 3.9 t0 -149.76 144.99 26.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 0.755 . . . . 0.0 109.373 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1048 ' ' VAL . . . . . . . . . . . . . 2.3 t -131.02 33.44 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1049 ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' 1050 ' ' THR . . . -84.36 6.7 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1050 ' ' THR . . . . . 0.453 ' CB ' ' O ' ' A' 1049 ' ' ALA . 0.9 OUTLIER 169.29 -30.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1051 ' ' LEU . . . . . . . . . . . . . 23.1 mt -82.06 125.93 76.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 132.61 15.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.459 1.768 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 22.1 tp -77.18 -39.29 49.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -64.55 -47.95 76.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1055 ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' 1058 ' ' ALA . 0.2 OUTLIER -64.92 -47.39 77.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.377 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.64 HG13 HD13 ' A' 1184 ' ' ILE . 3.3 t -58.15 -43.49 85.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1057 ' ' LEU . . . . . 0.433 HD23 HG11 ' A' 1060 ' ' VAL . 9.5 mt -64.3 -33.93 76.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1058 ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' 1055 ' ' LYS . . . -62.47 -47.02 85.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1059 ' ' VAL . . . . . 0.884 HG13 ' CG1' ' A' 1106 ' ' VAL . 20.1 t -69.19 -47.89 71.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1060 ' ' VAL . . . . . 0.433 HG11 HD23 ' A' 1057 ' ' LEU . 0.4 OUTLIER -56.53 -38.82 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1061 ' ' GLY . . . . . . . . . . . . . . . -73.42 -36.45 54.92 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1062 ' ' THR . . . . . 0.61 HG21 ' CB ' ' A' 1090 ' ' TYR . 0.5 OUTLIER -60.24 -40.64 90.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 0.81 . . . . 0.0 110.361 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1063 ' ' ALA . . . . . 0.918 ' HB2' HG21 ' A' 1106 ' ' VAL . . . -83.83 -43.21 15.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1064 ' ' GLU . . . . . 0.503 ' HB3' ' CB ' ' A' 1076 ' ' THR . 27.4 mt-10 -54.56 -43.61 72.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1065 ' ' ALA . . . . . 0.726 ' HB2' HG22 ' A' 1076 ' ' THR . . . -75.03 -22.37 58.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.407 1.067 . . . . 0.0 109.335 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1066 ' ' SER . . . . . . . . . . . . . 25.1 t -112.8 31.62 6.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 109.998 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1067 ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' 1063 ' ' ALA . 5.3 m -71.24 -147.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1068 ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -137.8 11.16 2.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1069 ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -112.68 127.41 26.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.6 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1070 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.68 3.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1071 ' ' LEU . . . . . 0.876 HD21 ' HA ' ' A' 1038 ' ' ARG . 0.7 OUTLIER -167.03 -52.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.599 1.187 . . . . 0.0 109.331 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -59.48 -32.52 73.28 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.573 1.17 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1073 ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' 1065 ' ' ALA . 38.0 t -69.49 -37.95 75.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -68.41 -35.51 77.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.081 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1075 ' ' VAL . . . . . 0.463 HG21 ' CG1' ' A' 1039 ' ' VAL . 74.5 t -63.78 -54.64 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1076 ' ' THR . . . . . 0.726 HG22 ' HB2' ' A' 1065 ' ' ALA . 0.6 OUTLIER -64.78 -41.92 95.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.178 . . . . 0.0 110.364 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -46.16 84.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 64.5 t80 -62.61 -40.12 95.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1079 ' ' CYS . . . . . 0.782 ' O ' HD12 ' A' 1083 ' ' LEU . 0.1 OUTLIER -63.54 -34.14 77.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 108.24 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1080 ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' 1085 ' ' THR . 0.0 OUTLIER -66.91 -43.76 82.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.25 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -42.16 98.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.95 -19.69 51.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1083 ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' 1079 ' ' CYS . 2.1 mt -82.72 -23.31 34.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 69.97 42.18 69.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1085 ' ' THR . . . . . 0.403 ' O ' ' HG2' ' A' 1080 ' ' LYS . 0.2 OUTLIER -134.92 121.8 21.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 110.436 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -91.34 17.24 8.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.421 ' O ' ' CG ' ' A' 1088 ' ' LEU . 1.9 t -55.09 136.06 48.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.355 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1088 ' ' LEU . . . . . 0.421 ' CG ' ' O ' ' A' 1087 ' ' THR . 0.3 OUTLIER 169.55 160.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 109.357 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 116.5 27.95 2.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1090 ' ' TYR . . . . . 0.632 ' OH ' HG23 ' A' 1109 ' ' VAL . 6.1 m-85 -93.32 161.47 14.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 0.751 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1091 ' ' CYS . . . . . 0.591 ' O ' ' HA ' ' A' 1106 ' ' VAL . 4.3 t -94.79 113.32 25.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 108.301 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1092 ' ' THR . . . . . 0.644 HG22 HG22 ' A' 1106 ' ' VAL . 29.7 p -95.65 163.02 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 5.7 t0 -158.2 74.66 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1094 ' ' PHE . . . . . 0.412 ' HA ' ' CB ' ' A' 1104 ' ' CYS . 1.6 p90 -74.64 160.65 30.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -178.76 129.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.405 1.065 . . . . 0.0 110.314 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -95.08 132.5 39.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 3.0 p -115.21 129.24 25.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 148.12 35.22 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.445 1.761 . . . . 0.0 111.023 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 61.13 29.32 70.78 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1100 ' ' CYS . . . . . . . . . . . . . 1.2 m -151.16 -70.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 158.46 -128.93 2.16 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.409 1.068 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1102 ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' 1148 ' ' ILE . 0.2 OUTLIER -130.09 154.1 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 109.31 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -151.66 159.76 28.43 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1104 ' ' CYS . . . . . 0.412 ' CB ' ' HA ' ' A' 1094 ' ' PHE . 36.0 t -160.84 151.71 18.56 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1105 ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' 1092 ' ' THR . 24.4 mttt -120.04 153.65 35.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.373 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1106 ' ' VAL . . . . . 0.918 HG21 ' HB2' ' A' 1063 ' ' ALA . 7.5 t -144.35 130.34 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1107 ' ' SER . . . . . . . . . . . . . 24.9 p -149.73 142.24 24.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.417 1.073 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1108 ' ' ASN . . . . . 0.53 ' CB ' ' HA ' ' A' 1090 ' ' TYR . 11.9 t-20 168.51 -37.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1109 ' ' VAL . . . . . 0.693 ' O ' HD23 ' A' 1113 ' ' LEU . 0.4 OUTLIER -48.24 -25.84 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' 1114 ' ' ALA . 14.2 tm-20 -61.6 -46.84 88.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -75.59 -26.14 66.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1112 ' ' ILE . . . . . . . . . . . . . 34.0 mm -62.56 -49.5 83.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.752 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1113 ' ' LEU . . . . . 0.693 HD23 ' O ' ' A' 1109 ' ' VAL . 0.7 OUTLIER -73.56 -39.57 64.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1114 ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' 1110 ' ' GLU . . . -163.74 122.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -98.75 159.23 15.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.563 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 67.5 p -173.34 154.05 2.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.938 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -178.17 77.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.78 147.56 41.33 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 162.08 37.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.88 -68.62 0.4 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 3.6 t -148.28 -95.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1122 ' ' ALA . . . . . . . . . . . . . . . -166.51 127.02 1.23 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 114.93 4.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . -174.76 92.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1125 ' ' SER . . . . . . . . . . . . . 16.9 m 64.39 151.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1126 ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -172.7 57.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.59 1.181 . . . . 0.0 109.54 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.93 -13.11 56.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.286 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1128 ' ' ASN . . . . . . . . . . . . . 47.8 t30 -47.77 141.5 5.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -49.74 171.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . -41.36 -61.5 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . 72.41 116.4 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 18.1 p -45.23 169.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 0.792 . . . . 0.0 109.989 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1133 ' ' LEU . . . . . 0.433 ' HA ' ' HD3' ' A' 1134 ' ' PRO . 0.2 OUTLIER -67.14 142.4 97.02 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1134 ' ' PRO . . . . . 0.679 ' O ' ' HB3' ' A' 1135 ' ' ALA . 18.2 Cg_endo -75.05 -57.23 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.78 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1135 ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' 1134 ' ' PRO . . . 83.4 -62.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 43.73 -94.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1137 ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' 1135 ' ' ALA . 4.9 tttt 75.39 107.91 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.72 131.67 27.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . 66.59 97.47 0.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1140 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -102.51 135.2 19.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.52 42.75 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.14 117.65 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 110.325 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1143 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.47 134.33 55.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.39 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -106.4 132.49 52.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1145 ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' 1185 ' ' ASP . 96.6 p -115.76 124.38 50.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.967 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1146 ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' 1183 ' ' ALA . 4.1 p -113.27 138.84 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1147 ' ' LEU . . . . . 0.473 HD13 ' CZ2' ' A' 1153 ' ' TRP . 0.0 OUTLIER -122.98 135.24 54.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1148 ' ' ILE . . . . . 0.712 ' O ' HD12 ' A' 1102 ' ' ILE . 0.4 OUTLIER -132.96 157.74 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 158.88 -147.39 14.87 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 11.2 m120 -67.76 138.95 56.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1151 ' ' ARG . . . . . 0.671 ' HB2' HG22 ' A' 1170 ' ' THR . 0.0 OUTLIER -51.14 -27.06 7.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1152 ' ' GLU . . . . . 0.869 ' H ' HG21 ' A' 1170 ' ' THR . 0.0 OUTLIER -67.89 -37.11 81.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1153 ' ' TRP . . . . . 0.584 ' CE3' ' O ' ' A' 1153 ' ' TRP . 1.5 t-105 -66.01 -48.3 71.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1154 ' ' LEU . . . . . 0.796 HD12 ' CB ' ' A' 1183 ' ' ALA . 3.6 mm? -65.6 -36.08 82.7 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1155 ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' 1159 ' ' LEU . 0.0 OUTLIER -65.96 -44.66 84.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.367 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1156 ' ' ARG . . . . . 0.488 ' CZ ' ' OG ' ' A' 1163 ' ' SER . 10.6 mtp180 -71.82 -22.35 61.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.077 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1157 ' ' ASN . . . . . 0.431 ' OD1' HD11 ' A' 1147 ' ' LEU . 8.6 t-20 -82.15 -66.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1158 ' ' GLY . . . . . 0.747 ' C ' HD13 ' A' 1159 ' ' LEU . . . -61.61 -48.35 85.04 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.747 HD13 ' C ' ' A' 1158 ' ' GLY . 0.0 OUTLIER -124.78 -160.56 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.787 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1160 ' ' THR . . . . . 0.501 ' O ' ' CG1' ' A' 1161 ' ' ILE . 1.6 m -127.65 165.02 20.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1161 ' ' ILE . . . . . 0.552 HG23 ' N ' ' A' 1162 ' ' SER . 0.4 OUTLIER 163.93 169.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1162 ' ' SER . . . . . 0.552 ' N ' HG23 ' A' 1161 ' ' ILE . 1.0 OUTLIER -67.5 141.04 57.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 109.99 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1163 ' ' SER . . . . . 0.531 ' O ' ' CB ' ' A' 1167 ' ' ASP . 28.0 m -71.65 -39.57 70.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1164 ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' 1168 ' ' ALA . 67.2 t0 -71.73 -41.16 68.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1165 ' ' VAL . . . . . 0.47 HG23 ' HB3' ' A' 1162 ' ' SER . 48.9 t -65.98 -50.19 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1166 ' ' SER . . . . . 0.489 ' HB2' HG22 ' A' 1161 ' ' ILE . 1.9 t -66.75 -46.83 74.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.002 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1167 ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' 1163 ' ' SER . 4.8 t70 -60.85 -37.28 81.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1168 ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' 1164 ' ' ASP . . . -63.23 -45.77 90.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 36.8 mmm -61.6 -49.48 76.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1170 ' ' THR . . . . . 0.869 HG21 ' H ' ' A' 1152 ' ' GLU . 4.4 p -62.43 -46.85 86.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.349 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1171 ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.3 OUTLIER -58.61 -43.86 89.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 3.1 t60 -53.53 -47.34 70.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.639 1.212 . . . . 0.0 109.669 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1173 ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' 1177 ' ' GLN . 6.5 mm-40 -60.53 -37.59 81.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.244 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1174 ' ' MET . . . . . 0.423 ' HA ' ' O ' ' A' 1177 ' ' GLN . 0.0 OUTLIER -76.12 -8.43 57.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.22 10.32 17.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -150.39 -58.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1177 ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' 1174 ' ' MET . 55.9 mm-40 -127.29 174.61 8.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.767 . . . . 0.0 110.327 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1178 ' ' THR . . . . . 0.485 ' CG2' ' HB ' ' A' 1194 ' ' ILE . 53.3 m -96.86 119.09 34.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 110.322 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -127.88 127.51 43.52 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.531 1.145 . . . . 0.0 109.359 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1180 ' ' ILE . . . . . 0.578 HD12 HD11 ' A' 1148 ' ' ILE . 18.6 pt -137.16 133.95 47.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1181 ' ' LEU . . . . . 0.551 HD13 ' HB2' ' A' 1154 ' ' LEU . 0.9 OUTLIER -100.05 137.8 38.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1182 ' ' VAL . . . . . 0.671 HG13 ' HB ' ' A' 1148 ' ' ILE . 1.8 t -120.35 123.33 70.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1183 ' ' ALA . . . . . 0.826 ' O ' HG23 ' A' 1146 ' ' VAL . . . -121.67 144.26 48.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1184 ' ' ILE . . . . . 1.017 ' O ' HG12 ' A' 1187 ' ' VAL . 1.2 tt -112.52 131.26 64.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1185 ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' 1145 ' ' SER . 0.5 OUTLIER 55.27 33.89 21.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.53 14.72 77.48 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.1 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1187 ' ' VAL . . . . . 1.017 HG12 ' O ' ' A' 1184 ' ' ILE . 1.1 p -119.46 153.07 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1188 ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' 1188 ' ' LEU . 0.3 OUTLIER -61.49 149.19 39.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1189 ' ' CYS . . . . . 0.575 ' SG ' ' N ' ' A' 1190 ' ' GLY . 1.9 p -146.07 -46.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 108.322 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1190 ' ' GLY . . . . . 0.575 ' N ' ' SG ' ' A' 1189 ' ' CYS . . . 167.05 155.75 9.28 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1191 ' ' MET . . . . . . . . . . . . . 8.7 ptp -115.17 149.11 38.17 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.483 0.755 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1192 ' ' ILE . . . . . 0.426 ' O ' ' CG1' ' A' 1180 ' ' ILE . 18.3 mt -107.98 128.7 63.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1193 ' ' ALA . . . . . 0.501 ' HB3' ' HG2' ' A' 1041 ' ' ARG . . . -110.66 126.37 54.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1194 ' ' ILE . . . . . 0.485 ' HB ' ' CG2' ' A' 1178 ' ' THR . 6.7 mt -110.01 138.59 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1195 ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' 1040 ' ' MET . . . -132.0 104.82 7.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 109.313 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . 133.82 157.35 8.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.425 1.078 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1034 ' ' HIS . . . . . . . . . . . . . 6.6 m80 -132.63 78.43 1.8 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.529 0.782 . . . . 0.0 109.579 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.99 113.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1036 ' ' VAL . . . . . . . . . . . . . 32.9 m -118.03 124.48 28.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1037 ' ' PRO . . . . . 0.582 ' O ' HD13 ' A' 1071 ' ' LEU . 18.3 Cg_endo -74.99 -168.27 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.553 1.817 . . . . 0.0 111.068 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1038 ' ' ARG . . . . . 0.961 ' O ' HG23 ' A' 1194 ' ' ILE . 0.0 OUTLIER -104.21 162.08 13.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1039 ' ' VAL . . . . . 0.706 HG21 HG21 ' A' 1075 ' ' VAL . 3.8 m -68.39 136.57 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1040 ' ' MET . . . . . 0.672 ' SD ' ' HB2' ' A' 1195 ' ' ALA . 8.6 ptt? -100.11 -38.24 8.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1041 ' ' ARG . . . . . 0.682 ' O ' ' HB3' ' A' 1193 ' ' ALA . 0.1 OUTLIER -171.26 158.82 5.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1042 ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' 1191 ' ' MET . 1.7 p -124.33 137.24 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.615 1.197 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1043 ' ' LEU . . . . . 0.469 HD12 ' NE ' ' A' 1041 ' ' ARG . 0.0 OUTLIER -102.23 151.62 22.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 5.1 tp -92.33 131.97 37.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1045 ' ' LEU . . . . . 0.677 HD13 HD11 ' A' 1181 ' ' LEU . 0.3 OUTLIER -146.61 25.88 1.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1046 ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -107.57 -148.62 14.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 1.6 t70 175.61 170.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1048 ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' 1048 ' ' VAL . 42.6 t -113.93 27.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -93.65 -5.88 47.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1050 ' ' THR . . . . . 0.409 ' O ' ' HG ' ' A' 1051 ' ' LEU . 7.9 m -136.62 -39.22 0.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.403 1.064 . . . . 0.0 110.392 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1051 ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' 1048 ' ' VAL . 13.1 mt -153.33 149.77 22.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.224 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 132.6 15.68 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.801 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.25 -27.16 68.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.37 -49.3 76.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.243 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -40.4 94.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1056 ' ' VAL . . . . . 0.408 ' O ' HG12 ' A' 1059 ' ' VAL . 12.7 t -63.57 -38.85 83.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.603 1.189 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1057 ' ' LEU . . . . . 0.468 HD22 ' HA ' ' A' 1057 ' ' LEU . 0.2 OUTLIER -64.54 -36.96 85.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -68.0 -45.26 74.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1059 ' ' VAL . . . . . 0.981 HG23 HG11 ' A' 1109 ' ' VAL . 0.4 OUTLIER -63.26 -42.0 94.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1060 ' ' VAL . . . . . 0.433 HG12 ' O ' ' A' 1057 ' ' LEU . 0.4 OUTLIER -68.44 -34.85 67.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.352 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1061 ' ' GLY . . . . . 0.698 ' HA2' HG22 ' A' 1076 ' ' THR . . . -60.79 -48.35 86.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.421 1.075 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1062 ' ' THR . . . . . 0.858 HG22 ' CB ' ' A' 1090 ' ' TYR . 51.3 m -79.16 -31.05 43.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 0.75 . . . . 0.0 110.425 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1063 ' ' ALA . . . . . 0.607 ' HA ' ' CD2' ' A' 1090 ' ' TYR . . . -62.66 -53.74 49.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1064 ' ' GLU . . . . . 0.872 ' O ' HG22 ' A' 1073 ' ' VAL . 0.1 OUTLIER -71.03 -45.28 64.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1065 ' ' ALA . . . . . 0.838 ' O ' HG13 ' A' 1073 ' ' VAL . . . -54.4 -36.55 64.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1066 ' ' SER . . . . . . . . . . . . . 5.2 t -117.41 35.08 4.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1067 ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' 1068 ' ' GLU . 0.4 OUTLIER -86.68 -27.97 23.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.971 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1068 ' ' GLU . . . . . 0.541 ' CB ' ' O ' ' A' 1067 ' ' SER . 0.4 OUTLIER 89.72 27.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1069 ' ' HIS . . . . . 0.418 ' H ' HG23 ' A' 1073 ' ' VAL . 10.0 t60 -111.09 127.13 27.38 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.647 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1070 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 54.72 3.72 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.47 1.773 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1071 ' ' LEU . . . . . 0.582 HD13 ' O ' ' A' 1037 ' ' PRO . 1.9 mt -178.6 -52.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1072 ' ' GLY . . . . . 0.449 ' O ' ' OG1' ' A' 1076 ' ' THR . . . -67.88 -33.69 80.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.449 1.093 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1073 ' ' VAL . . . . . 0.872 HG22 ' O ' ' A' 1064 ' ' GLU . 75.3 t -70.04 -35.9 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.59 0.817 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -69.33 -38.35 78.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1075 ' ' VAL . . . . . 0.706 HG21 HG21 ' A' 1039 ' ' VAL . 0.4 OUTLIER -61.51 -50.95 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1076 ' ' THR . . . . . 0.698 HG22 ' HA2' ' A' 1061 ' ' GLY . 0.4 OUTLIER -68.53 -38.18 80.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.421 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1077 ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' 1080 ' ' LYS . 1.2 ttpt -58.28 -47.08 84.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.376 1.047 . . . . 0.0 109.252 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -45.02 95.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -61.77 -34.65 76.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 108.307 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1080 ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' 1081 ' ' GLU . 0.0 OUTLIER -67.16 -38.1 84.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1081 ' ' GLU . . . . . 0.424 ' N ' ' HG2' ' A' 1080 ' ' LYS . 4.3 mt-10 -63.64 -44.09 94.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -20.7 52.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 8.9 mt -83.74 -23.03 31.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 70.44 39.96 68.96 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1085 ' ' THR . . . . . . . . . . . . . 2.3 p -136.84 121.06 17.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 0.741 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -94.4 24.86 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 2.6 m -60.7 125.25 23.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1088 ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' 1088 ' ' LEU . 9.6 mt -156.69 126.47 6.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.611 1.195 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1089 ' ' GLY . . . . . 0.526 ' O ' ' CG ' ' A' 1108 ' ' ASN . . . 161.33 39.44 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.575 1.172 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1090 ' ' TYR . . . . . 1.116 ' CE2' HG22 ' A' 1092 ' ' THR . 0.2 OUTLIER -83.03 142.18 31.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 111.046 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1091 ' ' CYS . . . . . 0.621 ' O ' ' HA ' ' A' 1106 ' ' VAL . 15.5 t -100.85 124.8 47.06 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.502 1.126 . . . . 0.0 108.302 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1092 ' ' THR . . . . . 1.116 HG22 ' CE2' ' A' 1090 ' ' TYR . 2.2 p -92.72 137.59 32.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.431 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1093 ' ' ASP . . . . . 0.502 ' O ' ' CG ' ' A' 1105 ' ' LYS . 9.1 m-20 -163.01 78.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1094 ' ' PHE . . . . . 0.583 ' CB ' ' HA ' ' A' 1104 ' ' CYS . 43.2 p90 -107.92 -167.16 1.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 3.6 tt0 177.22 155.41 0.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -93.41 126.84 38.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.14 125.16 29.69 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 152.35 40.14 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.533 1.807 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 49.01 27.05 6.4 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1100 ' ' CYS . . . . . 0.492 ' O ' ' CG ' ' A' 1153 ' ' TRP . 8.0 m -141.63 -71.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 157.15 -127.44 1.94 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.44 1.087 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1102 ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' 1148 ' ' ILE . 1.2 pt -135.53 135.65 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.566 0.804 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1103 ' ' GLY . . . . . 0.441 ' CA ' HD23 ' A' 1147 ' ' LEU . . . -126.47 132.43 7.75 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.495 1.122 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1104 ' ' CYS . . . . . 0.583 ' HA ' ' CB ' ' A' 1094 ' ' PHE . 3.1 p -121.48 145.23 48.15 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1105 ' ' LYS . . . . . 0.502 ' CG ' ' O ' ' A' 1093 ' ' ASP . 18.7 mtpt -118.73 153.56 34.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1106 ' ' VAL . . . . . 0.621 ' HA ' ' O ' ' A' 1091 ' ' CYS . 0.9 OUTLIER -140.53 135.22 35.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1107 ' ' SER . . . . . 0.577 ' O ' ' CB ' ' A' 1108 ' ' ASN . 0.7 OUTLIER -149.54 134.91 18.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.962 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1108 ' ' ASN . . . . . 0.577 ' CB ' ' O ' ' A' 1107 ' ' SER . 0.3 OUTLIER 149.59 -24.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.247 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1109 ' ' VAL . . . . . 0.981 HG11 HG23 ' A' 1059 ' ' VAL . 24.8 m -57.25 -21.69 15.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.402 ' C ' ' CD ' ' A' 1110 ' ' GLU . 5.4 tm-20 -66.19 -45.19 81.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.448 1.093 . . . . 0.0 110.32 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -76.73 -32.35 50.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1112 ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' 1112 ' ' ILE . 22.6 mm -67.94 -34.17 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.784 . . . . 0.0 109.385 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1113 ' ' LEU . . . . . 0.756 ' C ' HD12 ' A' 1113 ' ' LEU . 0.3 OUTLIER -83.47 -36.32 24.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 109.258 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1114 ' ' ALA . . . . . . . . . . . . . . . -85.43 -147.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -177.06 166.62 2.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.585 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.17 136.61 43.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -169.92 78.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.81 101.61 42.32 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 158.54 42.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -63.0 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 2.0 m 64.81 -95.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.968 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1122 ' ' ALA . . . . . . . . . . . . . . . 56.5 85.51 0.19 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.388 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 125.27 9.24 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . 40.34 84.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.439 1.087 . . . . 0.0 109.244 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1125 ' ' SER . . . . . . . . . . . . . 2.8 t -95.77 -6.91 38.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 110.034 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1126 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.31 -14.98 30.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.555 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.515 ' O ' ' C ' ' A' 1128 ' ' ASN . 15.6 mt -56.25 -28.11 57.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1128 ' ' ASN . . . . . 0.515 ' C ' ' O ' ' A' 1127 ' ' LEU . 1.6 t-20 31.59 88.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1129 ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' A' 1130 ' ' ALA . 3.0 tt0 -170.7 -69.87 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.596 1.185 . . . . 0.0 110.271 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1130 ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' 1129 ' ' GLU . . . 73.1 165.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . -168.88 -58.87 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 57.7 p -133.54 153.94 51.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 110.032 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1133 ' ' LEU . . . . . . . . . . . . . 1.1 mt -98.95 138.45 20.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1134 ' ' PRO . . . . . 0.463 ' O ' ' HB3' ' A' 1135 ' ' ALA . 18.3 Cg_endo -74.99 148.27 35.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 111.04 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1135 ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' 1134 ' ' PRO . . . 69.23 -63.58 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1136 ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' 1134 ' ' PRO . 2.7 tt0 55.49 169.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 69.14 155.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.01 113.12 23.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1139 ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' 1140 ' ' VAL . . . -55.14 93.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1140 ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' 1141 ' ' PRO . 0.2 OUTLIER -39.2 136.99 1.0 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1141 ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' 1140 ' ' VAL . 18.2 Cg_endo -75.0 146.58 32.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -63.39 122.35 16.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1143 ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.6 129.65 53.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.419 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -106.05 142.49 35.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1145 ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' 1185 ' ' ASP . 26.7 p -116.84 130.4 56.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1146 ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' 1183 ' ' ALA . 43.8 t -123.13 128.88 75.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1147 ' ' LEU . . . . . 0.441 HD23 ' CA ' ' A' 1103 ' ' GLY . 5.6 mt -107.81 122.72 47.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1148 ' ' ILE . . . . . 0.628 HG22 HG22 ' A' 1182 ' ' VAL . 1.2 pt -119.47 157.3 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 158.54 -165.11 33.84 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.601 1.188 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -68.53 149.44 49.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 0.726 . . . . 0.0 109.273 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1151 ' ' ARG . . . . . 0.691 ' HG2' HD23 ' A' 1181 ' ' LEU . 68.4 mtt180 -52.8 -34.2 52.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1152 ' ' GLU . . . . . 0.424 ' HB3' ' CA ' ' A' 1167 ' ' ASP . 0.0 OUTLIER -62.44 -38.21 88.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1153 ' ' TRP . . . . . 0.52 ' CE3' ' O ' ' A' 1153 ' ' TRP . 1.2 t-105 -60.23 -53.38 58.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 107.988 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1154 ' ' LEU . . . . . 0.757 ' CD2' HD12 ' A' 1181 ' ' LEU . 6.9 mp -59.51 -41.12 89.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1155 ' ' ARG . . . . . 0.483 ' HG3' ' CB ' ' A' 1166 ' ' SER . 33.7 mmt-85 -58.7 -46.21 87.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.273 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -71.25 -22.86 61.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 46.6 t30 -68.05 -50.34 55.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 169.81 52.84 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.434 1.084 . . . . 0.0 110.953 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1159 ' ' LEU . . . . . 0.438 ' HA ' HD22 ' A' 1159 ' ' LEU . 0.3 OUTLIER -133.31 138.35 46.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.246 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1160 ' ' THR . . . . . 0.63 HG22 ' H ' ' A' 1161 ' ' ILE . 2.7 m -52.81 -170.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.551 1.157 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1161 ' ' ILE . . . . . 0.63 ' H ' HG22 ' A' 1160 ' ' THR . 2.6 mp 66.59 148.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1162 ' ' SER . . . . . 0.416 ' HB3' ' CG2' ' A' 1165 ' ' VAL . 41.6 t -70.07 143.73 52.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.015 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -35.16 79.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.947 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.82 -38.37 73.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1165 ' ' VAL . . . . . 0.416 ' CG2' ' HB3' ' A' 1162 ' ' SER . 38.4 t -64.21 -50.38 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1166 ' ' SER . . . . . 0.483 ' CB ' ' HG3' ' A' 1155 ' ' ARG . 5.8 t -69.65 -34.42 73.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.026 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1167 ' ' ASP . . . . . 0.424 ' CA ' ' HB3' ' A' 1152 ' ' GLU . 1.2 t70 -64.42 -44.85 89.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.14 84.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 4.3 ttt -64.88 -49.59 69.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1170 ' ' THR . . . . . . . . . . . . . 8.9 m -63.33 -49.0 75.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 110.371 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1171 ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.1 OUTLIER -60.34 -41.37 93.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 10.6 m170 -55.72 -47.43 76.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.59 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1173 ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' 1177 ' ' GLN . 1.4 tt0 -58.49 -37.6 75.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -10.34 14.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 3.4 tttt -87.16 8.33 24.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.174 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -155.68 -57.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.402 1.064 . . . . 0.0 111.046 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1177 ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' 1173 ' ' GLU . 7.6 mp0 -125.93 174.9 8.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1178 ' ' THR . . . . . . . . . . . . . 2.3 m -105.16 122.55 46.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -130.0 128.45 42.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1180 ' ' ILE . . . . . 0.55 HD11 HD12 ' A' 1194 ' ' ILE . 0.0 OUTLIER -134.38 145.58 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.242 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1181 ' ' LEU . . . . . 0.757 HD12 ' CD2' ' A' 1154 ' ' LEU . 0.1 OUTLIER -100.43 140.56 34.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1182 ' ' VAL . . . . . 0.628 HG22 HG22 ' A' 1148 ' ' ILE . 48.8 t -119.14 120.99 65.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1183 ' ' ALA . . . . . 0.717 ' HB2' HD21 ' A' 1154 ' ' LEU . . . -120.59 149.13 42.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1184 ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' 1184 ' ' ILE . 1.4 tt -110.09 111.93 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1185 ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' 1145 ' ' SER . 40.7 t0 55.33 40.74 31.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.359 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.93 14.13 78.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1187 ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' 1184 ' ' ILE . 2.4 t -115.11 153.67 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 0.728 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1188 ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' 1045 ' ' LEU . 0.6 OUTLIER -60.37 143.75 52.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1189 ' ' CYS . . . . . 0.555 ' O ' ' N ' ' A' 1046 ' ' GLY . 2.7 t -147.55 -59.68 0.27 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 0.0 108.347 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1190 ' ' GLY . . . . . 0.503 ' HA2' ' HB2' ' A' 1045 ' ' LEU . . . -179.13 -166.84 35.7 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1191 ' ' MET . . . . . 0.692 ' O ' HG23 ' A' 1042 ' ' VAL . 10.2 ptm -151.34 150.69 30.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 111.064 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1192 ' ' ILE . . . . . . . . . . . . . 2.0 mm -107.07 133.83 50.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1193 ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' 1041 ' ' ARG . . . -122.29 120.25 33.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1194 ' ' ILE . . . . . 0.961 HG23 ' O ' ' A' 1038 ' ' ARG . 7.2 mt -119.51 137.65 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1195 ' ' ALA . . . . . 0.672 ' HB2' ' SD ' ' A' 1040 ' ' MET . . . -141.33 114.76 8.84 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.423 1.077 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 7.3 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1037 ' ' PRO . . . . . 0.462 ' HB2' ' CG2' ' A' 1194 ' ' ILE . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 110.931 -0.45 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1038 ' ' ARG . . . . . 0.932 ' O ' HG23 ' A' 1194 ' ' ILE . 5.5 mtp180 -135.88 154.79 51.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1039 ' ' VAL . . . . . 0.526 HG23 ' CD2' ' A' 1069 ' ' HIS . 64.6 t -72.46 136.89 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.24 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1040 ' ' MET . . . . . 0.578 ' CG ' ' HB3' ' A' 1195 ' ' ALA . 13.3 tpt -103.99 -44.09 5.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 111.086 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 6.4 ptt180 -169.8 157.09 6.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.413 1.071 . . . . 0.0 110.302 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -117.95 138.98 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.82 149.81 40.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 2.8 mt -77.45 136.08 38.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1045 ' ' LEU . . . . . 0.554 ' O ' ' CB ' ' A' 1188 ' ' LEU . 2.1 tp -144.72 22.5 1.61 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.416 1.072 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1046 ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -119.51 -151.85 8.95 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 10.1 t0 175.93 162.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 109.278 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1048 ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' 1048 ' ' VAL . 34.5 t -93.99 24.82 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -94.67 -12.26 27.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1050 ' ' THR . . . . . 0.869 ' O ' HD12 ' A' 1051 ' ' LEU . 18.9 m -118.37 -35.23 3.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.45 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1051 ' ' LEU . . . . . 0.869 HD12 ' O ' ' A' 1050 ' ' THR . 0.1 OUTLIER -173.63 168.31 2.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1052 ' ' PRO . . . . . 0.642 ' HD2' HD23 ' A' 1051 ' ' LEU . 18.3 Cg_endo -75.09 133.13 16.08 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.525 1.803 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1053 ' ' LEU . . . . . 0.574 ' HG ' HD12 ' A' 1057 ' ' LEU . 9.9 tp -68.27 -26.05 65.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -49.05 72.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -48.13 73.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' 1059 ' ' VAL . 3.5 t -58.58 -38.51 71.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.202 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1057 ' ' LEU . . . . . 0.574 HD12 ' HG ' ' A' 1053 ' ' LEU . 12.8 mt -67.53 -34.3 76.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1058 ' ' ALA . . . . . 0.401 ' O ' ' OG1' ' A' 1062 ' ' THR . . . -61.58 -50.55 72.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1059 ' ' VAL . . . . . 0.859 HG23 ' CD2' ' A' 1090 ' ' TYR . 9.2 p -70.15 -43.65 78.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.224 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1060 ' ' VAL . . . . . 0.525 ' O ' ' CG ' ' A' 1064 ' ' GLU . 3.9 t -57.52 -36.35 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1061 ' ' GLY . . . . . 0.411 ' O ' HG21 ' A' 1076 ' ' THR . . . -73.97 -36.64 51.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1062 ' ' THR . . . . . 0.931 HG21 ' HB2' ' A' 1090 ' ' TYR . 10.4 m -60.68 -39.96 90.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 110.44 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1063 ' ' ALA . . . . . . . . . . . . . . . -84.45 -42.25 15.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1064 ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' 1060 ' ' VAL . 4.5 mm-40 -54.63 -45.48 73.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1065 ' ' ALA . . . . . 0.68 ' HB2' HG22 ' A' 1076 ' ' THR . . . -75.56 -22.16 57.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1066 ' ' SER . . . . . 0.601 ' O ' ' CB ' ' A' 1067 ' ' SER . 3.1 t -62.1 -12.78 21.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.027 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1067 ' ' SER . . . . . 0.601 ' CB ' ' O ' ' A' 1066 ' ' SER . 3.9 p 94.56 152.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1068 ' ' GLU . . . . . 0.519 ' CB ' ' O ' ' A' 1067 ' ' SER . 1.0 OUTLIER 159.2 -28.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1069 ' ' HIS . . . . . 0.531 ' CD2' ' HD2' ' A' 1070 ' ' PRO . 11.4 t60 -127.11 140.06 36.81 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.649 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1070 ' ' PRO . . . . . 0.531 ' HD2' ' CD2' ' A' 1069 ' ' HIS . 18.4 Cg_endo -74.9 44.2 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.773 . . . . 0.0 111.041 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1071 ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' 1075 ' ' VAL . 0.2 OUTLIER 174.11 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 -179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -56.9 -38.13 82.55 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1073 ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' 1074 ' ' ALA . 0.3 OUTLIER -62.96 -47.9 90.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1074 ' ' ALA . . . . . 0.466 ' N ' ' CG1' ' A' 1073 ' ' VAL . . . -67.1 -33.0 74.52 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1075 ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' 1071 ' ' LEU . 34.7 t -64.42 -51.46 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.213 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1076 ' ' THR . . . . . 0.68 HG22 ' HB2' ' A' 1065 ' ' ALA . 0.8 OUTLIER -65.29 -50.39 65.88 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.49 1.119 . . . . 0.0 110.395 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -37.37 71.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1078 ' ' TYR . . . . . 0.441 ' CB ' ' O ' ' A' 1074 ' ' ALA . 18.9 t80 -66.55 -50.21 63.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 111.048 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1079 ' ' CYS . . . . . 0.833 ' O ' HD12 ' A' 1083 ' ' LEU . 5.0 p -61.29 -34.36 75.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.254 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -46.5 88.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.402 1.064 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.81 -35.9 81.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.53 -21.49 48.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1083 ' ' LEU . . . . . 0.833 HD12 ' O ' ' A' 1079 ' ' CYS . 1.7 mt -83.95 -23.85 30.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 76.18 29.36 58.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.143 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1085 ' ' THR . . . . . . . . . . . . . 1.6 p -136.71 121.33 18.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 110.39 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1086 ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' 1087 ' ' THR . 11.4 pt-20 -93.78 25.73 3.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.827 ' O ' HD12 ' A' 1088 ' ' LEU . 5.1 m -36.35 146.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.343 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1088 ' ' LEU . . . . . 0.827 HD12 ' O ' ' A' 1087 ' ' THR . 0.0 OUTLIER 169.08 114.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 171.71 36.4 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1090 ' ' TYR . . . . . 0.931 ' HB2' HG21 ' A' 1062 ' ' THR . 0.1 OUTLIER -115.32 154.25 29.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.987 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1091 ' ' CYS . . . . . 0.612 ' O ' ' HA ' ' A' 1106 ' ' VAL . 53.8 t -109.45 114.25 27.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 108.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1092 ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' 1105 ' ' LYS . 0.2 OUTLIER -94.02 165.74 12.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 110.398 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -160.9 81.73 0.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1094 ' ' PHE . . . . . 0.487 ' HA ' ' CB ' ' A' 1104 ' ' CYS . 1.5 p90 -73.24 166.76 22.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -178.57 146.7 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 110.245 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -105.72 129.57 53.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 1.4 t -114.74 131.0 23.64 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 149.75 36.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.556 1.819 . . . . 0.0 110.983 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 56.31 32.21 60.27 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.423 1.077 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1100 ' ' CYS . . . . . 0.437 ' O ' ' CG ' ' A' 1153 ' ' TRP . 86.2 m -150.59 -68.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 150.75 -131.56 3.59 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.579 1.175 . . . . 0.0 111.006 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . 0.494 HD12 ' O ' ' A' 1148 ' ' ILE . 0.5 OUTLIER -116.81 156.44 18.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -157.5 162.49 32.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1104 ' ' CYS . . . . . 0.487 ' CB ' ' HA ' ' A' 1094 ' ' PHE . 31.4 p -163.21 158.26 21.42 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1105 ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' 1092 ' ' THR . 4.4 mtpt -129.37 153.22 48.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.386 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1106 ' ' VAL . . . . . 0.723 HG22 ' CD1' ' A' 1090 ' ' TYR . 6.3 p -144.44 126.73 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1107 ' ' SER . . . . . 0.47 ' O ' ' HB2' ' A' 1108 ' ' ASN . 1.5 p -150.67 142.51 23.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1108 ' ' ASN . . . . . 0.55 HD22 ' N ' ' A' 1091 ' ' CYS . 1.0 OUTLIER 162.92 -32.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1109 ' ' VAL . . . . . 0.528 ' CG1' ' OH ' ' A' 1090 ' ' TYR . 5.7 p -45.0 -27.58 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.225 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -70.09 -46.64 64.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' 1108 ' ' ASN . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 N--CA 1.454 -0.84 0 N-CA-C 110.988 -0.428 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -72.61 121.43 19.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 110.295 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1143 ' ' THR . . . . . 0.465 ' OG1' ' CB ' ' A' 1107 ' ' SER . 1.9 m -120.69 133.66 55.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.457 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -106.69 142.04 36.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1145 ' ' SER . . . . . . . . . . . . . 26.0 t -119.17 127.43 53.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1146 ' ' VAL . . . . . 0.962 HG22 HG13 ' A' 1184 ' ' ILE . 40.4 t -118.11 125.82 74.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 5.2 mt -108.29 138.36 44.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1148 ' ' ILE . . . . . 0.578 ' HB ' HG22 ' A' 1182 ' ' VAL . 0.2 OUTLIER -133.63 154.37 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1149 ' ' GLY . . . . . 0.41 ' N ' HG13 ' A' 1148 ' ' ILE . . . 157.35 -162.13 31.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.138 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 11.0 m120 -68.7 155.6 39.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1151 ' ' ARG . . . . . 0.823 ' HG2' HD13 ' A' 1181 ' ' LEU . 33.2 mtp180 -59.59 -34.02 72.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1152 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.69 -37.02 84.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1153 ' ' TRP . . . . . 0.437 ' CG ' ' O ' ' A' 1100 ' ' CYS . 2.7 t-105 -60.75 -52.36 65.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1154 ' ' LEU . . . . . 0.825 HD11 ' CB ' ' A' 1183 ' ' ALA . 3.6 mm? -61.78 -41.12 97.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1155 ' ' ARG . . . . . 0.634 ' NH2' HD12 ' A' 1161 ' ' ILE . 0.5 OUTLIER -56.85 -48.79 77.25 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.72 -24.24 62.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 55.1 t30 -64.37 -46.32 83.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 160.38 56.24 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.91 -160.37 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1160 ' ' THR . . . . . 0.611 HG22 ' H ' ' A' 1161 ' ' ILE . 2.4 m -107.75 -169.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.366 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1161 ' ' ILE . . . . . 0.634 HD12 ' NH2' ' A' 1155 ' ' ARG . 26.8 mt 59.17 160.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1162 ' ' SER . . . . . 0.439 ' N ' ' CG2' ' A' 1161 ' ' ILE . 36.4 t -76.76 144.24 39.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . 0.421 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.3 OUTLIER -65.01 -36.2 83.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.584 1.178 . . . . 0.0 110.042 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 19.7 t0 -71.02 -39.87 72.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 37.2 t -64.36 -50.65 75.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1166 ' ' SER . . . . . 0.435 ' OG ' ' NE ' ' A' 1155 ' ' ARG . 6.0 t -68.43 -34.51 76.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1167 ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' 1171 ' ' ASP . 4.0 t70 -64.9 -45.66 84.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1168 ' ' ALA . . . . . 0.576 ' O ' ' CD2' ' A' 1172 ' ' HIS . . . -64.87 -36.16 83.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -49.97 65.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1170 ' ' THR . . . . . . . . . . . . . 2.5 m -63.46 -48.75 76.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.42 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1171 ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.1 OUTLIER -61.27 -42.77 99.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1172 ' ' HIS . . . . . 0.576 ' CD2' ' O ' ' A' 1168 ' ' ALA . 10.6 m170 -54.44 -46.58 73.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.546 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1173 ' ' GLU . . . . . 0.44 ' HG2' ' CG ' ' A' 1177 ' ' GLN . 0.2 OUTLIER -57.11 -37.38 71.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.69 -10.37 8.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 16.9 tttt -86.3 10.47 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -160.87 -56.27 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1177 ' ' GLN . . . . . 0.44 ' CG ' ' HG2' ' A' 1173 ' ' GLU . 7.4 pt20 -125.51 174.16 8.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1178 ' ' THR . . . . . . . . . . . . . 22.0 m -108.53 119.86 40.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.468 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -112.84 130.15 56.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1180 ' ' ILE . . . . . 0.457 HD11 ' CG2' ' A' 1192 ' ' ILE . 30.8 pt -135.9 129.79 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1181 ' ' LEU . . . . . 0.823 HD13 ' HG2' ' A' 1151 ' ' ARG . 1.2 mp -102.42 138.36 39.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.384 1.053 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1182 ' ' VAL . . . . . 0.578 HG22 ' HB ' ' A' 1148 ' ' ILE . 1.0 OUTLIER -119.58 119.52 60.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1183 ' ' ALA . . . . . 0.825 ' CB ' HD11 ' A' 1154 ' ' LEU . . . -118.0 149.75 40.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1184 ' ' ILE . . . . . 0.962 HG13 HG22 ' A' 1146 ' ' VAL . 0.7 OUTLIER -108.82 115.41 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 3.5 t0 54.44 39.4 31.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.26 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.46 14.79 77.29 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.105 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1187 ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' 1184 ' ' ILE . 0.3 OUTLIER -113.82 153.74 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.347 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1188 ' ' LEU . . . . . 0.554 ' CB ' ' O ' ' A' 1045 ' ' LEU . 0.4 OUTLIER -61.15 142.18 56.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1189 ' ' CYS . . . . . 0.728 ' SG ' HD13 ' A' 1184 ' ' ILE . 5.5 t -145.1 -62.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 108.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1190 ' ' GLY . . . . . 0.523 ' HA2' ' N ' ' A' 1045 ' ' LEU . . . 178.44 159.39 22.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1191 ' ' MET . . . . . . . . . . . . . 4.5 ptm -123.55 148.88 45.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 0.746 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1192 ' ' ILE . . . . . 0.457 ' CG2' HD11 ' A' 1180 ' ' ILE . 19.5 mt -108.12 130.86 59.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -111.0 121.84 46.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.24 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1194 ' ' ILE . . . . . 0.932 HG23 ' O ' ' A' 1038 ' ' ARG . 2.4 mt -107.58 136.78 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . 0.578 ' HB3' ' CG ' ' A' 1040 ' ' MET . . . -140.64 106.86 5.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 5.4 t70 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.867 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1038 ' ' ARG . . . . . 0.506 ' O ' HG23 ' A' 1194 ' ' ILE . 0.2 OUTLIER -134.86 160.04 39.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.326 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1039 ' ' VAL . . . . . 0.712 ' CG1' HD12 ' A' 1071 ' ' LEU . 12.6 p -74.71 132.19 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1040 ' ' MET . . . . . 0.577 ' CG ' ' HB3' ' A' 1195 ' ' ALA . 0.0 OUTLIER -90.42 -41.8 11.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1041 ' ' ARG . . . . . 0.48 ' HG3' ' HB3' ' A' 1193 ' ' ALA . 5.3 ptt-85 -168.06 156.08 8.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.515 1.135 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -118.71 138.14 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.147 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1043 ' ' LEU . . . . . 0.624 ' HB3' HD21 ' A' 1045 ' ' LEU . 0.0 OUTLIER -106.23 146.97 29.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 1.02 ' C ' HD22 ' A' 1045 ' ' LEU . 3.2 mt -84.66 126.04 33.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1045 ' ' LEU . . . . . 1.02 HD22 ' C ' ' A' 1044 ' ' LEU . 2.6 mm? -141.4 29.86 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1046 ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -133.32 117.94 2.02 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.12 124.62 25.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1048 ' ' VAL . . . . . 0.57 HG11 ' HB2' ' A' 1053 ' ' LEU . 2.4 t -94.24 31.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -93.05 -15.76 25.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1050 ' ' THR . . . . . . . . . . . . . 2.4 m -127.74 -35.9 2.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1051 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.54 144.11 28.87 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 133.48 16.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1053 ' ' LEU . . . . . 0.57 ' HB2' HG11 ' A' 1048 ' ' VAL . 17.1 tp -78.21 -34.37 49.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -40.96 90.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 110.357 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1055 ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' 1059 ' ' VAL . 0.1 OUTLIER -70.98 -49.5 44.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.52 ' O ' HG23 ' A' 1060 ' ' VAL . 0.3 OUTLIER -60.27 -37.08 72.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.595 1.184 . . . . 0.0 109.255 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.61 -45.34 90.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.53 86.02 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.432 1.082 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1059 ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' 1055 ' ' LYS . 92.5 t -59.38 -47.02 92.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1060 ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' 1056 ' ' VAL . 53.7 t -66.64 -35.16 74.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1061 ' ' GLY . . . . . 0.772 ' HA2' HG22 ' A' 1076 ' ' THR . . . -61.52 -46.86 93.46 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1062 ' ' THR . . . . . 0.857 HG22 ' HB3' ' A' 1090 ' ' TYR . 86.0 m -74.64 -30.47 61.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 0.763 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1063 ' ' ALA . . . . . 0.732 ' HB2' ' CE2' ' A' 1090 ' ' TYR . . . -65.01 -55.29 19.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1064 ' ' GLU . . . . . 0.687 ' HB2' HG21 ' A' 1076 ' ' THR . 2.9 mt-10 -63.02 -46.78 85.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1065 ' ' ALA . . . . . 0.621 ' HB2' ' HB ' ' A' 1076 ' ' THR . . . -62.2 -23.21 66.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1066 ' ' SER . . . . . . . . . . . . . 8.4 t -105.5 19.01 21.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1067 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.02 -150.27 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.044 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1068 ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -135.04 26.18 3.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1069 ' ' HIS . . . . . 0.428 ' HA ' ' HD3' ' A' 1070 ' ' PRO . 1.6 t60 -91.21 130.06 41.3 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.628 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1070 ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' 1069 ' ' HIS . 18.4 Cg_endo -74.97 2.68 6.34 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.564 1.823 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1071 ' ' LEU . . . . . 0.712 HD12 ' CG1' ' A' 1039 ' ' VAL . 0.3 OUTLIER -130.35 -45.49 1.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . 0.42 ' O ' HG12 ' A' 1075 ' ' VAL . . . -60.04 -40.76 97.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1073 ' ' VAL . . . . . 0.487 ' CG2' ' HA ' ' A' 1065 ' ' ALA . 0.3 OUTLIER -72.74 -36.42 52.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 109.335 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -69.02 -36.16 77.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1075 ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' 1076 ' ' THR . 0.4 OUTLIER -67.11 -48.71 78.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1076 ' ' THR . . . . . 0.772 HG22 ' HA2' ' A' 1061 ' ' GLY . 1.2 p -67.14 -48.28 68.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.75 -37.75 71.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 13.4 t80 -64.89 -50.49 66.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 111.016 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1079 ' ' CYS . . . . . 0.722 ' O ' HD12 ' A' 1083 ' ' LEU . 2.1 p -59.4 -35.36 73.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 108.324 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 2.5 mttp -62.59 -43.28 99.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -37.41 86.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.15 . . . . 0.0 110.362 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.85 -20.82 48.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1083 ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' 1079 ' ' CYS . 2.4 mt -83.61 -23.82 31.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 88.1 14.92 61.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1085 ' ' THR . . . . . . . . . . . . . 1.8 p -137.19 120.88 17.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.372 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -100.36 -31.14 11.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 9.6 t -40.38 153.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1088 ' ' LEU . . . . . . . . . . . . . 58.9 mt -115.81 -169.15 1.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1089 ' ' GLY . . . . . 0.534 ' O ' ' CG ' ' A' 1108 ' ' ASN . . . 168.25 38.85 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1090 ' ' TYR . . . . . 0.857 ' HB3' HG22 ' A' 1062 ' ' THR . 8.1 t80 -126.39 125.01 41.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1091 ' ' CYS . . . . . 0.718 ' O ' ' HA ' ' A' 1106 ' ' VAL . 17.6 t -96.38 130.96 43.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 108.271 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1092 ' ' THR . . . . . 0.718 HG22 ' HE1' ' A' 1090 ' ' TYR . 8.7 p -94.23 139.07 31.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -170.77 77.76 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1094 ' ' PHE . . . . . 0.585 ' CB ' ' HA ' ' A' 1104 ' ' CYS . 51.0 p90 -106.86 -167.85 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 178.21 164.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -100.9 132.33 46.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 2.3 t -114.89 125.05 29.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 152.56 40.59 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 49.81 26.66 8.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1100 ' ' CYS . . . . . 0.563 ' HB3' ' CH2' ' A' 1153 ' ' TRP . 33.3 m -141.93 -74.51 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 161.47 -125.57 1.46 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.609 1.193 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 13.0 pt -132.78 135.76 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -129.01 127.58 5.59 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1104 ' ' CYS . . . . . 0.585 ' HA ' ' CB ' ' A' 1094 ' ' PHE . 19.9 p -116.58 140.69 49.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1105 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -121.8 153.41 38.36 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1106 ' ' VAL . . . . . 0.856 HG21 ' CD2' ' A' 1090 ' ' TYR . 0.9 OUTLIER -141.84 150.38 19.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1107 ' ' SER . . . . . 0.667 ' O ' ' CB ' ' A' 1108 ' ' ASN . 0.9 OUTLIER -150.86 149.84 30.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1108 ' ' ASN . . . . . 0.667 ' CB ' ' O ' ' A' 1107 ' ' SER . 3.6 t-20 141.33 -57.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1109 ' ' VAL . . . . . 0.502 HG11 HG22 ' A' 1059 ' ' VAL . 5.8 m -51.09 -18.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' 1108 ' ' ASN . 2.6 pt-20 -62.8 -46.72 86.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.095 0 O-C-N 124.487 1.117 . . . . 0.0 110.946 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.079 -0.393 . . . . 0.0 111.079 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1142 ' ' GLN . . . . . 0.426 ' O ' ' CD ' ' A' 1110 ' ' GLU . 2.3 tt0 -112.95 111.95 23.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.223 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1143 ' ' THR . . . . . . . . . . . . . 10.3 t -106.36 136.14 46.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.375 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -104.57 134.46 47.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1145 ' ' SER . . . . . . . . . . . . . 59.8 p -119.53 131.5 55.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.993 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1146 ' ' VAL . . . . . 0.91 HG13 ' O ' ' A' 1183 ' ' ALA . 80.5 t -117.67 138.78 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1147 ' ' LEU . . . . . 0.531 HD22 ' HZ2' ' A' 1153 ' ' TRP . 3.5 mt -107.06 121.53 44.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1148 ' ' ILE . . . . . 0.844 ' HB ' HG23 ' A' 1182 ' ' VAL . 0.2 OUTLIER -119.12 153.34 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.175 . . . . 0.0 109.232 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1149 ' ' GLY . . . . . 0.479 ' H ' HD12 ' A' 1148 ' ' ILE . . . 159.98 -172.72 36.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 5.2 m120 -69.16 174.08 4.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1151 ' ' ARG . . . . . . . . . . . . . 18.7 ttm-85 -63.12 -29.08 70.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1152 ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.08 -44.81 87.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.351 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1153 ' ' TRP . . . . . 0.563 ' CH2' ' HB3' ' A' 1100 ' ' CYS . 18.6 t-105 -61.89 -45.9 91.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 108.005 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1154 ' ' LEU . . . . . 0.795 HD11 ' HB2' ' A' 1183 ' ' ALA . 2.2 mm? -62.56 -36.78 83.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1155 ' ' ARG . . . . . 0.541 HH12 ' N ' ' A' 1163 ' ' SER . 3.4 mmm-85 -58.0 -49.85 75.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -25.92 63.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.35 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -63.53 -43.3 97.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 153.73 55.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.561 1.163 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.481 ' O ' ' NE ' ' A' 1155 ' ' ARG . 0.2 OUTLIER -125.0 133.71 52.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1160 ' ' THR . . . . . 0.618 HG22 ' H ' ' A' 1161 ' ' ILE . 2.2 m -69.98 -165.52 0.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1161 ' ' ILE . . . . . 0.618 ' H ' HG22 ' A' 1160 ' ' THR . 0.1 OUTLIER 78.8 160.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1162 ' ' SER . . . . . . . . . . . . . 41.0 t -69.78 143.91 52.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . 0.541 ' N ' HH12 ' A' 1155 ' ' ARG . 0.2 OUTLIER -66.53 -34.07 77.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.95 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1164 ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' 1168 ' ' ALA . 24.0 t0 -70.87 -35.19 72.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.393 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 56.0 t -71.84 -49.7 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1166 ' ' SER . . . . . . . . . . . . . 6.4 t -65.29 -46.08 81.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1167 ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' 1163 ' ' SER . 21.1 t70 -63.11 -44.09 96.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1168 ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' 1164 ' ' ASP . . . -62.96 -37.12 85.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 3.9 mtt -66.71 -48.82 68.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1170 ' ' THR . . . . . 0.435 ' CG2' ' N ' ' A' 1171 ' ' ASP . 0.7 OUTLIER -63.22 -47.78 81.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.36 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1171 ' ' ASP . . . . . 0.435 ' N ' ' CG2' ' A' 1170 ' ' THR . 0.1 OUTLIER -63.65 -39.45 94.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -56.15 -47.59 77.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.593 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1173 ' ' GLU . . . . . 0.456 ' HG2' ' HB2' ' A' 1179 ' ' ALA . 1.4 tp10 -59.5 -45.48 91.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.34 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -10.46 17.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.19 10.9 15.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -158.43 -57.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1177 ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' 1173 ' ' GLU . 38.8 mt-30 -126.56 174.14 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1178 ' ' THR . . . . . . . . . . . . . 1.1 p -99.95 119.86 38.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1179 ' ' ALA . . . . . 0.456 ' HB2' ' HG2' ' A' 1173 ' ' GLU . . . -117.37 127.77 54.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1180 ' ' ILE . . . . . 0.823 ' HB ' HD11 ' A' 1148 ' ' ILE . 25.2 pt -131.42 130.39 62.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1181 ' ' LEU . . . . . 0.702 ' O ' HD12 ' A' 1148 ' ' ILE . 4.7 mp -105.41 136.6 44.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1182 ' ' VAL . . . . . 0.844 HG23 ' HB ' ' A' 1148 ' ' ILE . 0.4 OUTLIER -119.7 130.94 73.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1183 ' ' ALA . . . . . 0.91 ' O ' HG13 ' A' 1146 ' ' VAL . . . -122.27 147.66 45.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1184 ' ' ILE . . . . . 0.89 ' O ' HG12 ' A' 1187 ' ' VAL . 0.2 OUTLIER -109.7 126.18 66.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1185 ' ' ASP . . . . . 0.602 ' N ' HD13 ' A' 1184 ' ' ILE . 3.3 t70 56.72 34.85 25.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.76 16.24 77.98 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1187 ' ' VAL . . . . . 0.89 HG12 ' O ' ' A' 1184 ' ' ILE . 0.3 OUTLIER -119.49 155.75 22.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.403 0.708 . . . . 0.0 109.288 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1188 ' ' LEU . . . . . 0.709 HD22 ' HB3' ' A' 1045 ' ' LEU . 0.9 OUTLIER -60.16 147.96 37.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.252 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1189 ' ' CYS . . . . . 0.618 ' O ' ' N ' ' A' 1046 ' ' GLY . 9.1 t -146.39 -59.98 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.17 . . . . 0.0 108.269 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1190 ' ' GLY . . . . . 0.588 ' O ' HG12 ' A' 1182 ' ' VAL . . . 179.87 157.91 20.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1191 ' ' MET . . . . . 0.566 ' H ' HD23 ' A' 1045 ' ' LEU . 0.0 OUTLIER -122.74 147.84 46.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.949 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1192 ' ' ILE . . . . . 0.618 HG23 HG23 ' A' 1039 ' ' VAL . 2.3 mt -109.56 134.87 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1193 ' ' ALA . . . . . 0.48 ' HB3' ' HG3' ' A' 1041 ' ' ARG . . . -115.19 125.83 53.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1194 ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' 1038 ' ' ARG . 4.8 mt -110.84 138.81 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . 0.689 ' O ' ' OXT' ' A' 1196 ' ' ASP . . . -135.61 102.72 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1196 ' ' ASP . . . . . 0.689 ' OXT' ' O ' ' A' 1195 ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.945 0 N-CA-C 111.018 -0.416 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1038 ' ' ARG . . . . . 0.91 ' O ' HG23 ' A' 1194 ' ' ILE . 0.3 OUTLIER -105.02 165.37 11.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.1 . . . . 0.0 110.288 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1039 ' ' VAL . . . . . 0.501 HG11 HG13 ' A' 1075 ' ' VAL . 1.0 OUTLIER -67.28 128.02 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1040 ' ' MET . . . . . 0.556 ' HB2' ' HB3' ' A' 1195 ' ' ALA . 10.8 tpt -95.7 -42.66 8.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.36 156.42 8.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 1.1 p -122.97 137.48 56.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.0 136.35 41.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.604 1.19 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.514 ' O ' HD23 ' A' 1045 ' ' LEU . 2.6 mt -81.5 124.68 29.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1045 ' ' LEU . . . . . 0.687 ' O ' HD12 ' A' 1188 ' ' LEU . 13.4 mt -136.89 23.32 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1046 ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -125.78 115.88 2.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.84 138.81 56.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.738 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1048 ' ' VAL . . . . . 0.7 HG11 ' CB ' ' A' 1053 ' ' LEU . 2.1 t -116.37 31.7 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -92.33 -15.35 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1050 ' ' THR . . . . . . . . . . . . . 2.1 m -128.14 -36.11 1.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.411 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1051 ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' 1052 ' ' PRO . 26.8 mt -107.14 148.62 37.38 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1052 ' ' PRO . . . . . 0.549 ' O ' HG23 ' A' 1056 ' ' VAL . 18.2 Cg_endo -75.05 133.79 16.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.811 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1053 ' ' LEU . . . . . 0.7 ' CB ' HG11 ' A' 1048 ' ' VAL . 0.7 OUTLIER -76.11 -38.24 57.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -63.6 -47.66 80.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -41.54 87.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 1.189 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' 1052 ' ' PRO . 3.8 t -60.04 -46.51 94.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.382 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1057 ' ' LEU . . . . . 0.509 ' HA ' HG12 ' A' 1060 ' ' VAL . 1.2 mp -65.67 -32.63 74.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.25 79.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1059 ' ' VAL . . . . . 0.795 HG23 ' CD1' ' A' 1090 ' ' TYR . 8.8 p -70.34 -47.26 67.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1060 ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' 1057 ' ' LEU . 0.3 OUTLIER -58.59 -34.06 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1061 ' ' GLY . . . . . 0.476 ' HA2' ' CG2' ' A' 1076 ' ' THR . . . -74.01 -36.44 51.84 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.444 1.09 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1062 ' ' THR . . . . . 0.764 HG21 ' HB2' ' A' 1090 ' ' TYR . 25.8 m -65.29 -35.74 81.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1063 ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' 1067 ' ' SER . . . -84.0 -51.0 7.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1064 ' ' GLU . . . . . 0.543 ' HB2' HG21 ' A' 1076 ' ' THR . 10.9 mt-10 -55.06 -40.86 70.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1065 ' ' ALA . . . . . 0.886 ' O ' HG13 ' A' 1073 ' ' VAL . . . -74.96 -23.21 58.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.379 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1066 ' ' SER . . . . . 0.526 ' O ' ' CZ ' ' A' 1094 ' ' PHE . 40.1 t -109.03 24.02 13.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.942 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1067 ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' 1068 ' ' GLU . 3.5 m -56.63 -27.25 57.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1068 ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' 1067 ' ' SER . 0.2 OUTLIER 86.3 -0.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1069 ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -93.06 137.16 23.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.633 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1070 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 55.27 3.85 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.517 1.798 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1071 ' ' LEU . . . . . 0.773 HD21 ' HA ' ' A' 1038 ' ' ARG . 1.4 tt -176.46 -57.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -58.18 -36.75 83.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.429 1.081 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1073 ' ' VAL . . . . . 0.886 HG13 ' O ' ' A' 1065 ' ' ALA . 58.0 t -63.85 -42.77 96.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -66.95 -34.18 77.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1075 ' ' VAL . . . . . 0.501 HG13 HG11 ' A' 1039 ' ' VAL . 16.3 t -62.01 -48.31 89.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1076 ' ' THR . . . . . 0.543 HG21 ' HB2' ' A' 1064 ' ' GLU . 0.6 OUTLIER -66.36 -43.42 86.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 110.416 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1077 ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' 1078 ' ' TYR . 0.0 OUTLIER -59.49 -36.11 75.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1078 ' ' TYR . . . . . 0.42 ' N ' ' HG3' ' A' 1077 ' ' LYS . 52.3 t80 -66.71 -52.28 46.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -34.07 76.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 108.315 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1080 ' ' LYS . . . . . 0.485 ' CD ' ' O ' ' A' 1085 ' ' THR . 0.1 OUTLIER -62.29 -47.22 85.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.33 -36.46 83.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -21.0 56.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.239 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 9.3 mt -83.52 -24.77 31.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 97.86 20.23 22.04 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1085 ' ' THR . . . . . 0.485 ' O ' ' CD ' ' A' 1080 ' ' LYS . 0.2 OUTLIER -136.78 122.14 19.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 0.799 . . . . 0.0 110.337 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.61 25.78 9.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 110.264 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 92.9 m -139.92 140.75 36.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.423 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1088 ' ' LEU . . . . . 0.624 ' CB ' HG23 ' A' 1062 ' ' THR . 0.1 OUTLIER -112.28 -162.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.215 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 173.46 36.02 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.449 1.093 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1090 ' ' TYR . . . . . 0.795 ' CD1' HG23 ' A' 1059 ' ' VAL . 0.2 OUTLIER -123.49 148.93 45.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.994 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1091 ' ' CYS . . . . . 0.671 ' O ' ' HA ' ' A' 1106 ' ' VAL . 2.2 t -95.62 113.64 25.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 108.285 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1092 ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' 1105 ' ' LYS . 4.7 p -93.2 155.56 17.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1093 ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' 1104 ' ' CYS . 5.0 m-20 -153.63 77.15 1.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1094 ' ' PHE . . . . . 0.526 ' CZ ' ' O ' ' A' 1066 ' ' SER . 13.5 m-85 -73.05 151.8 41.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -162.29 128.88 3.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.157 . . . . 0.0 110.235 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -90.13 126.78 35.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.376 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1097 ' ' VAL . . . . . 0.408 HG23 ' H ' ' A' 1101 ' ' GLY . 0.9 OUTLIER -114.2 124.01 31.58 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.96 30.76 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 66.61 14.81 63.19 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1100 ' ' CYS . . . . . . . . . . . . . 11.9 t -135.08 -75.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1101 ' ' GLY . . . . . 0.408 ' H ' HG23 ' A' 1097 ' ' VAL . . . 162.05 -127.61 1.75 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.462 1.101 . . . . 0.0 111.041 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . 0.69 HD12 HD12 ' A' 1148 ' ' ILE . 23.2 pt -129.35 142.49 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -151.16 140.72 8.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.463 1.102 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1104 ' ' CYS . . . . . 0.51 ' SG ' ' CG1' ' A' 1146 ' ' VAL . 18.9 p -136.63 161.13 36.76 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1105 ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' 1092 ' ' THR . 3.3 mptt -119.1 154.25 33.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1106 ' ' VAL . . . . . 0.671 ' HA ' ' O ' ' A' 1091 ' ' CYS . 0.3 OUTLIER -143.26 124.91 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1107 ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' 1108 ' ' ASN . 59.1 p -152.05 136.6 16.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1108 ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' A' 1107 ' ' SER . 2.4 t-20 170.47 -40.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1109 ' ' VAL . . . . . . . . . . . . . 6.7 p -51.61 -21.17 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -65.55 -46.17 80.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.862 0 N-CA-C 110.986 -0.429 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -85.69 115.86 23.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1143 ' ' THR . . . . . . . . . . . . . 1.9 m -121.47 135.17 55.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.461 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -104.97 142.04 35.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1145 ' ' SER . . . . . . . . . . . . . 12.4 t -107.74 130.95 54.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1146 ' ' VAL . . . . . 0.51 ' CG1' ' SG ' ' A' 1104 ' ' CYS . 3.8 t -109.55 138.46 36.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1147 ' ' LEU . . . . . 0.478 HD23 ' CZ2' ' A' 1153 ' ' TRP . 0.2 OUTLIER -128.07 139.1 52.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1148 ' ' ILE . . . . . 0.954 HG23 HG13 ' A' 1182 ' ' VAL . 0.2 OUTLIER -143.34 142.96 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1149 ' ' GLY . . . . . 0.58 ' CA ' ' CE3' ' A' 1153 ' ' TRP . . . 161.81 -171.27 37.71 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1150 ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' 1153 ' ' TRP . 10.0 m120 -75.61 153.86 37.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 0.768 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1151 ' ' ARG . . . . . 0.792 ' HD2' HG22 ' A' 1170 ' ' THR . 51.1 mtt180 -46.36 -34.96 4.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1152 ' ' GLU . . . . . 0.466 ' HB3' ' CA ' ' A' 1167 ' ' ASP . 3.0 pp20? -70.05 -34.56 73.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.356 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1153 ' ' TRP . . . . . 1.069 ' CH2' HD23 ' A' 1154 ' ' LEU . 0.0 OUTLIER -62.52 -52.78 62.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 108.037 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1154 ' ' LEU . . . . . 1.069 HD23 ' CH2' ' A' 1153 ' ' TRP . 0.2 OUTLIER -64.36 -41.49 96.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1155 ' ' ARG . . . . . 0.457 ' HA ' ' CB ' ' A' 1159 ' ' LEU . 2.2 mpt_? -57.48 -46.43 83.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -69.48 -25.85 64.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 20.3 t30 -65.37 -59.13 4.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.352 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . -175.42 58.21 0.11 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.133 . . . . 0.0 110.969 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.53 HD13 HD12 ' A' 1154 ' ' LEU . 0.1 OUTLIER -144.25 141.8 30.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.297 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1160 ' ' THR . . . . . 0.653 HG22 ' H ' ' A' 1161 ' ' ILE . 2.8 m -55.57 -164.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.384 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1161 ' ' ILE . . . . . 0.653 ' H ' HG22 ' A' 1160 ' ' THR . 1.3 mp 63.5 152.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1162 ' ' SER . . . . . . . . . . . . . 40.3 t -76.28 142.25 41.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.411 1.07 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.5 OUTLIER -67.58 -34.1 76.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 25.5 t0 -71.43 -40.07 70.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 32.3 t -64.02 -50.98 74.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1166 ' ' SER . . . . . 0.983 ' O ' HG23 ' A' 1170 ' ' THR . 3.5 t -69.37 -33.08 72.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.005 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1167 ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' 1163 ' ' SER . 0.1 OUTLIER -66.88 -42.71 85.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.25 96.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -48.76 75.74 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.149 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1170 ' ' THR . . . . . 0.983 HG23 ' O ' ' A' 1166 ' ' SER . 72.0 p -63.74 -50.69 68.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.365 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1171 ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.3 OUTLIER -57.34 -37.73 73.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 2.4 m170 -59.44 -47.65 84.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.603 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1173 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.32 -36.34 79.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 2.3 ttt -62.92 -10.74 14.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 2.5 mttp -87.12 10.09 17.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -155.4 -56.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1177 ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -127.21 169.72 13.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1178 ' ' THR . . . . . . . . . . . . . 2.0 m -103.34 128.01 50.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 110.45 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -131.58 128.57 39.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1180 ' ' ILE . . . . . 0.513 HD11 ' HB ' ' A' 1192 ' ' ILE . 8.6 pt -132.56 133.57 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1181 ' ' LEU . . . . . 0.462 HD23 ' HG ' ' A' 1154 ' ' LEU . 0.7 OUTLIER -101.77 136.34 41.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1182 ' ' VAL . . . . . 0.954 HG13 HG23 ' A' 1148 ' ' ILE . 1.6 t -122.11 120.92 62.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1183 ' ' ALA . . . . . 0.567 ' HB3' HD21 ' A' 1154 ' ' LEU . . . -118.61 149.55 41.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1184 ' ' ILE . . . . . . . . . . . . . 81.6 mt -109.29 112.82 42.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 32.0 t70 54.6 41.49 31.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 71.67 14.8 75.38 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1187 ' ' VAL . . . . . . . . . . . . . 2.6 t -114.46 154.18 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 109.272 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1188 ' ' LEU . . . . . 0.687 HD12 ' O ' ' A' 1045 ' ' LEU . 0.6 OUTLIER -59.49 142.91 51.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1189 ' ' CYS . . . . . 0.574 ' O ' ' N ' ' A' 1046 ' ' GLY . 1.7 t -144.35 -56.06 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 108.326 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1190 ' ' GLY . . . . . 0.479 ' HA2' ' CB ' ' A' 1045 ' ' LEU . . . 162.72 157.44 9.05 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.454 1.096 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1191 ' ' MET . . . . . 0.485 ' HB3' ' CD1' ' A' 1045 ' ' LEU . 22.3 ptm -119.71 149.13 42.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 110.978 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1192 ' ' ILE . . . . . 0.513 ' HB ' HD11 ' A' 1180 ' ' ILE . 1.1 mp -108.1 130.38 60.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -115.39 123.16 47.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1194 ' ' ILE . . . . . 0.91 HG23 ' O ' ' A' 1038 ' ' ARG . 4.6 mt -110.62 133.0 57.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.456 1.098 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . 0.612 ' O ' ' OXT' ' A' 1196 ' ' ASP . . . -140.0 109.54 6.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1196 ' ' ASP . . . . . 0.612 ' OXT' ' O ' ' A' 1195 ' ' ALA . 20.0 t70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1037 ' ' PRO . . . . . 0.51 ' O ' ' CD2' ' A' 1071 ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 110.958 -0.439 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1038 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.38 164.1 15.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.08 . . . . 0.0 110.277 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1039 ' ' VAL . . . . . 0.765 HG11 HG13 ' A' 1075 ' ' VAL . 5.2 p -66.29 134.9 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1040 ' ' MET . . . . . . . . . . . . . 1.4 tmt? -105.85 -42.48 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -167.99 156.6 9.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.347 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 2.6 t -117.04 137.66 50.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.06 140.84 36.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.492 HD11 ' O ' ' A' 1046 ' ' GLY . 1.9 tp -78.76 126.09 30.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1045 ' ' LEU . . . . . 0.768 ' CD2' HD21 ' A' 1181 ' ' LEU . 0.6 OUTLIER -137.56 23.79 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1046 ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -141.79 122.52 2.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 4.0 t0 -105.25 173.79 6.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 0.769 . . . . 0.0 109.375 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1048 ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' 1051 ' ' LEU . 2.4 t -96.06 30.85 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -93.81 -15.34 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 109.281 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1050 ' ' THR . . . . . 0.615 HG21 HG21 ' A' 1187 ' ' VAL . 27.5 m -131.5 -37.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1051 ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' 1051 ' ' LEU . 17.5 mt -155.42 155.08 29.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1052 ' ' PRO . . . . . 0.413 ' HA ' HG13 ' A' 1048 ' ' VAL . 18.4 Cg_endo -75.03 134.56 17.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1053 ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' 1057 ' ' LEU . 5.9 tp -72.56 -25.82 61.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 5.6 mmt-85 -65.35 -50.56 65.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1055 ' ' LYS . . . . . 0.413 ' CG ' ' HG2' ' A' 1052 ' ' PRO . 41.3 mmtt -69.69 -36.97 76.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.457 ' CG1' ' SG ' ' A' 1189 ' ' CYS . 2.4 t -63.1 -43.81 99.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1057 ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' 1053 ' ' LEU . 0.9 OUTLIER -64.9 -35.81 82.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.445 1.09 . . . . 0.0 109.242 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -62.04 -45.59 92.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 0.0 109.355 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1059 ' ' VAL . . . . . 0.942 HG22 ' CG1' ' A' 1106 ' ' VAL . 0.4 OUTLIER -69.53 -48.5 65.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1060 ' ' VAL . . . . . 0.517 ' O ' ' CG ' ' A' 1064 ' ' GLU . 0.4 OUTLIER -57.77 -35.6 51.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1061 ' ' GLY . . . . . . . . . . . . . . . -73.41 -33.51 58.6 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1062 ' ' THR . . . . . 0.677 HG21 ' CG ' ' A' 1090 ' ' TYR . 0.5 OUTLIER -64.68 -41.08 96.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.586 0.815 . . . . 0.0 110.419 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1063 ' ' ALA . . . . . 0.685 ' HB2' HG21 ' A' 1106 ' ' VAL . . . -84.25 -38.7 20.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1064 ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' 1060 ' ' VAL . 5.5 mm-40 -54.74 -37.74 66.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1065 ' ' ALA . . . . . 0.801 ' O ' HG22 ' A' 1073 ' ' VAL . . . -71.61 -23.9 61.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1066 ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' 1067 ' ' SER . 1.1 t -101.37 -1.68 32.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1067 ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' 1063 ' ' ALA . 9.0 p -35.06 118.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1068 ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' 1067 ' ' SER . 0.6 OUTLIER -35.37 -34.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1069 ' ' HIS . . . . . 0.516 ' CD2' ' HD2' ' A' 1070 ' ' PRO . 0.9 OUTLIER -84.01 139.38 39.78 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.568 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1070 ' ' PRO . . . . . 0.516 ' HD2' ' CD2' ' A' 1069 ' ' HIS . 18.3 Cg_endo -75.03 -0.05 9.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.399 1.737 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1071 ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' 1075 ' ' VAL . 1.9 mp -90.31 -56.29 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.376 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -59.11 -28.69 64.33 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1073 ' ' VAL . . . . . 0.801 HG22 ' O ' ' A' 1065 ' ' ALA . 11.0 t -63.07 -51.33 73.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 0.764 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.0 72.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1075 ' ' VAL . . . . . 0.765 HG13 HG11 ' A' 1039 ' ' VAL . 48.9 t -59.05 -52.09 64.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1076 ' ' THR . . . . . 0.795 ' CG2' ' HB2' ' A' 1065 ' ' ALA . 0.4 OUTLIER -66.15 -40.11 90.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.423 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 4.8 tttp -57.47 -41.95 81.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -66.57 -45.75 78.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1079 ' ' CYS . . . . . 0.543 ' O ' HD12 ' A' 1083 ' ' LEU . 0.0 OUTLIER -63.42 -34.66 78.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 108.351 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1080 ' ' LYS . . . . . 0.433 ' NZ ' ' HG2' ' A' 1086 ' ' GLU . 2.5 pttt -66.98 -38.72 86.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.25 -43.67 97.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -78.53 -20.53 50.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.172 . . . . 0.0 110.294 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1083 ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' 1079 ' ' CYS . 6.2 mt -83.17 -23.3 32.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.385 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 76.01 35.74 43.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1085 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.74 122.14 19.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 0.74 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1086 ' ' GLU . . . . . 0.433 ' HG2' ' NZ ' ' A' 1080 ' ' LYS . 3.4 tt0 -103.51 24.05 11.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 1.3 t -49.82 139.06 13.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.389 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1088 ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' 1088 ' ' LEU . 6.7 tp -176.37 115.8 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 155.66 37.96 0.02 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1090 ' ' TYR . . . . . 0.677 ' CG ' HG21 ' A' 1062 ' ' THR . 11.6 m-85 -101.61 159.59 15.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1091 ' ' CYS . . . . . 0.651 ' O ' ' HA ' ' A' 1106 ' ' VAL . 0.5 OUTLIER -99.21 112.26 24.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 108.265 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1092 ' ' THR . . . . . 0.476 HG22 HG22 ' A' 1106 ' ' VAL . 44.5 p -94.47 160.37 14.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 1.7 t70 -156.36 75.31 0.86 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1094 ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -72.64 143.83 48.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -159.17 132.66 7.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.34 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -89.67 124.15 34.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.08 124.15 31.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 143.72 29.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.509 1.794 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 74.98 7.23 81.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1100 ' ' CYS . . . . . 0.55 ' HB3' ' CZ2' ' A' 1153 ' ' TRP . 87.6 m -132.24 -75.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 157.28 -123.91 1.35 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.556 1.16 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . 0.625 HD11 ' HB ' ' A' 1148 ' ' ILE . 15.7 pt -115.08 136.88 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -138.74 120.16 1.89 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.556 1.16 . . . . 0.0 110.973 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1104 ' ' CYS . . . . . . . . . . . . . 7.5 p -127.9 140.87 51.75 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1105 ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' 1092 ' ' THR . 2.0 mttt -106.34 152.79 23.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1106 ' ' VAL . . . . . 0.942 ' CG1' HG22 ' A' 1059 ' ' VAL . 10.6 t -144.71 136.58 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1107 ' ' SER . . . . . 0.71 ' HB3' HG23 ' A' 1143 ' ' THR . 4.1 p -149.27 151.24 33.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.941 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1108 ' ' ASN . . . . . 0.557 ' HB3' ' CD2' ' A' 1090 ' ' TYR . 4.8 t30 153.78 -20.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1109 ' ' VAL . . . . . . . . . . . . . 12.2 m -44.47 -31.49 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -53.93 -46.93 71.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.921 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -91.55 142.33 27.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1143 ' ' THR . . . . . 0.71 HG23 ' HB3' ' A' 1107 ' ' SER . 53.1 m -117.23 134.51 54.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.403 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -108.57 141.54 40.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1145 ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' 1185 ' ' ASP . 54.1 p -102.01 130.45 48.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.956 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1146 ' ' VAL . . . . . 0.485 HG22 HG13 ' A' 1184 ' ' ILE . 96.4 t -117.92 138.62 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.57 139.39 53.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1148 ' ' ILE . . . . . 0.85 HG23 HG22 ' A' 1182 ' ' VAL . 0.6 OUTLIER -138.87 157.3 29.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 162.11 -166.37 36.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.145 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 12.2 m120 -67.6 146.33 53.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 0.808 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1151 ' ' ARG . . . . . 0.653 HH21 HH12 ' A' 1155 ' ' ARG . 48.9 mtp180 -51.43 -26.8 8.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1152 ' ' GLU . . . . . 0.614 ' H ' HG21 ' A' 1170 ' ' THR . 0.7 OUTLIER -68.23 -43.04 78.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1153 ' ' TRP . . . . . 0.587 ' CE3' ' O ' ' A' 1153 ' ' TRP . 0.9 OUTLIER -58.79 -52.27 66.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 107.995 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1154 ' ' LEU . . . . . 0.438 ' HG ' HD23 ' A' 1181 ' ' LEU . 3.2 mm? -61.27 -38.27 86.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.407 1.067 . . . . 0.0 109.36 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1155 ' ' ARG . . . . . 0.653 HH12 HH21 ' A' 1151 ' ' ARG . 2.8 mpt_? -57.01 -49.08 76.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.227 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -72.52 -22.02 61.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 62.4 t30 -62.43 -59.23 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . -174.38 56.56 0.13 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.451 ' CB ' ' HA ' ' A' 1155 ' ' ARG . 0.0 OUTLIER -132.79 -160.15 1.02 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 0.763 . . . . 0.0 109.254 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1160 ' ' THR . . . . . 0.663 HG22 ' H ' ' A' 1161 ' ' ILE . 2.8 m -110.56 -165.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.417 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1161 ' ' ILE . . . . . 0.663 ' H ' HG22 ' A' 1160 ' ' THR . 19.6 mm 65.04 153.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1162 ' ' SER . . . . . . . . . . . . . 39.9 t -72.47 144.71 47.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 44.2 m -65.54 -36.01 82.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 1.4 t0 -70.5 -39.38 74.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 41.5 t -68.18 -48.63 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1166 ' ' SER . . . . . 1.009 ' O ' HG23 ' A' 1170 ' ' THR . 7.1 t -67.33 -34.32 77.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.986 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1167 ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.8 -45.42 89.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -70.19 -34.44 72.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 109.238 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 6.9 mtm -65.82 -48.52 71.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 111.001 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1170 ' ' THR . . . . . 1.009 HG23 ' O ' ' A' 1166 ' ' SER . 65.0 p -64.52 -52.32 58.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1171 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -44.43 89.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -54.09 -47.77 71.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.628 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1173 ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' 1177 ' ' GLN . 3.6 mm-40 -57.46 -37.21 72.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 2.7 ttp -61.84 -11.1 11.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.48 10.46 17.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -159.45 -56.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1177 ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' 1173 ' ' GLU . 19.2 mp0 -125.8 174.87 8.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 110.219 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1178 ' ' THR . . . . . 0.524 ' HB ' ' CG1' ' A' 1194 ' ' ILE . 1.3 m -124.22 119.89 30.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -132.75 128.35 36.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.597 1.185 . . . . 0.0 109.261 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1180 ' ' ILE . . . . . 0.464 HG13 HG22 ' A' 1192 ' ' ILE . 20.0 pt -130.67 147.37 33.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1181 ' ' LEU . . . . . 0.768 HD21 ' CD2' ' A' 1045 ' ' LEU . 0.5 OUTLIER -101.41 142.08 33.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1182 ' ' VAL . . . . . 0.85 HG22 HG23 ' A' 1148 ' ' ILE . 3.9 t -120.58 121.09 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1183 ' ' ALA . . . . . . . . . . . . . . . -116.85 149.98 39.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1184 ' ' ILE . . . . . 0.642 ' O ' HG12 ' A' 1187 ' ' VAL . 1.2 mp -107.63 111.81 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1185 ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' 1145 ' ' SER . 0.7 OUTLIER 52.4 43.99 30.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 71.09 14.93 74.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1187 ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' 1184 ' ' ILE . 0.4 OUTLIER -112.39 153.91 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.236 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1188 ' ' LEU . . . . . 0.552 ' HG ' HD23 ' A' 1045 ' ' LEU . 0.6 OUTLIER -61.8 144.1 55.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1189 ' ' CYS . . . . . 0.521 ' CB ' HD13 ' A' 1184 ' ' ILE . 1.5 t -144.88 -66.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 108.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1190 ' ' GLY . . . . . 0.559 ' HA2' ' CB ' ' A' 1045 ' ' LEU . . . 170.95 157.88 13.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1191 ' ' MET . . . . . 0.633 ' HB3' HD12 ' A' 1181 ' ' LEU . 1.2 ppp? -118.58 148.74 42.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1192 ' ' ILE . . . . . 0.489 HD11 HG21 ' A' 1039 ' ' VAL . 3.3 tt -108.34 134.21 50.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -121.12 117.69 27.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1194 ' ' ILE . . . . . 0.524 ' CG1' ' HB ' ' A' 1178 ' ' THR . 3.9 pt -109.82 130.97 62.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . 0.571 ' O ' ' OXT' ' A' 1196 ' ' ASP . . . -140.06 110.97 6.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1196 ' ' ASP . . . . . 0.571 ' OXT' ' O ' ' A' 1195 ' ' ALA . 19.3 t70 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1037 ' ' PRO . . . . . 0.942 ' HB2' HD11 ' A' 1194 ' ' ILE . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.904 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1038 ' ' ARG . . . . . 0.839 ' HA ' HD13 ' A' 1071 ' ' LEU . 4.2 mpt_? -135.95 163.13 30.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1039 ' ' VAL . . . . . . . . . . . . . 9.8 p -68.67 137.41 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1040 ' ' MET . . . . . 0.523 ' O ' ' CG ' ' A' 1041 ' ' ARG . 6.9 tpt -100.84 -42.61 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1041 ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' 1040 ' ' MET . 32.5 mtt180 -164.96 157.36 15.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 0.0 110.22 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 2.4 t -129.84 137.13 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.78 138.9 50.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.664 ' O ' HD12 ' A' 1045 ' ' LEU . 3.1 tp -79.43 136.69 37.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1045 ' ' LEU . . . . . 0.682 ' O ' HD12 ' A' 1188 ' ' LEU . 0.7 OUTLIER -145.17 23.95 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1046 ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -122.85 114.89 2.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.586 1.179 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.97 141.86 48.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1048 ' ' VAL . . . . . 0.63 HG11 ' HB2' ' A' 1053 ' ' LEU . 4.9 t -131.04 30.08 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -92.63 -15.56 26.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.376 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1050 ' ' THR . . . . . . . . . . . . . 6.2 m -131.97 -36.46 1.18 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1051 ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' 1052 ' ' PRO . 6.1 mp -99.92 146.63 32.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1052 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 1051 ' ' LEU . 18.4 Cg_endo -75.02 134.43 17.77 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1053 ' ' LEU . . . . . 0.63 ' HB2' HG11 ' A' 1048 ' ' VAL . 7.5 tp -77.18 -35.11 56.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -65.21 -45.3 85.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 110.265 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -50.53 56.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . . . . . . . . . 7.9 t -57.8 -41.51 79.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1057 ' ' LEU . . . . . 0.41 ' O ' HG12 ' A' 1060 ' ' VAL . 31.8 tp -64.81 -35.23 80.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.7 92.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1059 ' ' VAL . . . . . 0.446 ' O ' HG22 ' A' 1062 ' ' THR . 43.1 t -68.69 -47.6 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.376 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1060 ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' 1057 ' ' LEU . 0.4 OUTLIER -56.79 -38.79 60.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1061 ' ' GLY . . . . . 0.491 ' HA2' ' CG2' ' A' 1076 ' ' THR . . . -73.82 -33.59 57.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1062 ' ' THR . . . . . 0.776 HG21 ' CG ' ' A' 1090 ' ' TYR . 0.5 OUTLIER -62.75 -40.37 97.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 110.439 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1063 ' ' ALA . . . . . 0.733 ' HB2' HG11 ' A' 1106 ' ' VAL . . . -84.72 -44.66 13.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1064 ' ' GLU . . . . . 0.545 ' HB2' HG21 ' A' 1076 ' ' THR . 3.0 mm-40 -55.32 -45.49 76.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1065 ' ' ALA . . . . . 0.652 ' HB2' ' HB ' ' A' 1076 ' ' THR . . . -76.48 -22.45 54.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1066 ' ' SER . . . . . . . . . . . . . 8.5 t -108.77 27.4 9.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1067 ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' 1063 ' ' ALA . 0.4 OUTLIER -78.51 -30.15 46.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.026 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1068 ' ' GLU . . . . . . . . . . . . . 3.4 tt0 77.38 21.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.088 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1069 ' ' HIS . . . . . 0.5 ' CG ' ' HD2' ' A' 1070 ' ' PRO . 13.1 t-80 -90.68 142.55 27.96 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.598 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1070 ' ' PRO . . . . . 0.5 ' HD2' ' CG ' ' A' 1069 ' ' HIS . 18.3 Cg_endo -75.02 56.13 4.17 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.455 1.766 . . . . 0.0 110.961 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1071 ' ' LEU . . . . . 0.839 HD13 ' HA ' ' A' 1038 ' ' ARG . 0.1 OUTLIER 165.41 -52.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -58.34 -35.73 80.2 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1073 ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' 1065 ' ' ALA . 0.3 OUTLIER -64.68 -47.97 86.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1074 ' ' ALA . . . . . 0.481 ' N ' ' CG1' ' A' 1073 ' ' VAL . . . -67.01 -33.81 76.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1075 ' ' VAL . . . . . 0.425 HG23 HD12 ' A' 1071 ' ' LEU . 2.4 t -59.32 -49.32 83.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1076 ' ' THR . . . . . 0.652 ' HB ' ' HB2' ' A' 1065 ' ' ALA . 0.2 OUTLIER -69.01 -42.64 76.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.432 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -57.15 -42.0 80.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -46.13 76.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1079 ' ' CYS . . . . . 0.677 ' O ' HD12 ' A' 1083 ' ' LEU . 0.1 OUTLIER -61.34 -35.65 78.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 108.342 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 8.9 mttp -66.7 -39.91 88.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.403 1.065 . . . . 0.0 109.333 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.44 -42.55 98.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -78.09 -21.63 50.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.221 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1083 ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' 1079 ' ' CYS . 5.0 mt -83.39 -22.43 32.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 77.84 30.94 50.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1085 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.98 122.12 19.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 110.439 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -102.84 23.37 12.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 60.7 m -50.88 136.76 22.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1088 ' ' LEU . . . . . . . . . . . . . 3.7 tp -177.76 113.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 169.18 37.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1090 ' ' TYR . . . . . 0.776 ' CG ' HG21 ' A' 1062 ' ' THR . 0.2 OUTLIER -101.53 160.33 14.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 0.781 . . . . 0.0 110.984 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1091 ' ' CYS . . . . . 0.688 ' O ' ' HA ' ' A' 1106 ' ' VAL . 8.6 t -96.46 113.15 24.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 108.396 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1092 ' ' THR . . . . . . . . . . . . . 45.1 p -93.93 152.16 19.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.606 1.191 . . . . 0.0 110.374 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.92 75.43 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1094 ' ' PHE . . . . . . . . . . . . . 18.0 p90 -73.64 147.08 44.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -159.58 138.3 10.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 110.301 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -109.26 129.41 55.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.355 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 44.5 t -114.9 124.47 30.34 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 142.71 28.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.798 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 76.06 11.73 84.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1100 ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -138.37 -74.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 165.97 -132.61 2.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . 0.575 HD12 ' N ' ' A' 1102 ' ' ILE . 0.4 OUTLIER -134.78 163.13 37.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -170.58 155.27 24.58 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.433 1.083 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1104 ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' 1105 ' ' LYS . 7.0 t -142.74 153.12 43.02 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1105 ' ' LYS . . . . . 0.437 ' N ' ' SG ' ' A' 1104 ' ' CYS . 0.0 OUTLIER -116.15 154.74 29.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1106 ' ' VAL . . . . . 0.733 HG11 ' HB2' ' A' 1063 ' ' ALA . 0.0 OUTLIER -143.04 126.79 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1107 ' ' SER . . . . . 0.541 ' HB3' HG23 ' A' 1143 ' ' THR . 6.3 p -150.67 136.5 18.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.17 . . . . 0.0 110.012 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1108 ' ' ASN . . . . . 0.63 HD22 ' N ' ' A' 1091 ' ' CYS . 0.6 OUTLIER 165.6 -27.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.062 . . . . 0.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1109 ' ' VAL . . . . . 0.504 ' CG1' ' OH ' ' A' 1090 ' ' TYR . 3.4 p -44.23 -29.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.43 -46.35 76.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' 1108 ' ' ASN . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo . . . . . 0 N--CA 1.453 -0.869 0 N-CA-C 111.067 -0.397 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -71.75 110.41 6.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1143 ' ' THR . . . . . 0.541 HG23 ' HB3' ' A' 1107 ' ' SER . 1.9 m -107.28 134.23 50.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.441 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -106.0 140.62 38.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1145 ' ' SER . . . . . . . . . . . . . 47.2 p -110.47 128.98 55.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1146 ' ' VAL . . . . . 0.596 HG22 HD12 ' A' 1184 ' ' ILE . 46.0 t -121.27 140.7 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1147 ' ' LEU . . . . . 0.748 HD13 ' H ' ' A' 1186 ' ' GLY . 0.3 OUTLIER -127.82 148.26 50.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1148 ' ' ILE . . . . . 0.956 HG23 HG13 ' A' 1182 ' ' VAL . 0.3 OUTLIER -141.32 156.79 21.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.59 1.181 . . . . 0.0 109.249 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1149 ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' 1153 ' ' TRP . . . 160.42 -174.29 37.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1150 ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' 1153 ' ' TRP . 14.9 t-20 -69.65 152.8 44.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1151 ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' 1155 ' ' ARG . 13.5 mtp180 -45.37 -34.88 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1152 ' ' GLU . . . . . 0.481 ' CB ' ' HB2' ' A' 1167 ' ' ASP . 1.0 OUTLIER -69.67 -35.08 74.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1153 ' ' TRP . . . . . 1.153 ' CH2' HD23 ' A' 1154 ' ' LEU . 0.0 OUTLIER -61.11 -53.38 57.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.0 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1154 ' ' LEU . . . . . 1.153 HD23 ' CH2' ' A' 1153 ' ' TRP . 0.2 OUTLIER -64.75 -41.57 95.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1155 ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' 1160 ' ' THR . 0.7 OUTLIER -55.27 -47.9 74.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -25.06 62.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -62.32 -49.72 74.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.353 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 164.87 57.66 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.442 1.089 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.481 HD22 ' H ' ' A' 1160 ' ' THR . 0.5 OUTLIER -124.43 -162.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 0.719 . . . . 0.0 109.256 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1160 ' ' THR . . . . . 0.535 HG22 ' H ' ' A' 1161 ' ' ILE . 2.6 m -109.29 -178.09 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1161 ' ' ILE . . . . . 0.535 ' H ' HG22 ' A' 1160 ' ' THR . 15.1 mm 64.41 162.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1162 ' ' SER . . . . . 0.457 ' N ' ' CG2' ' A' 1161 ' ' ILE . 38.0 t -75.72 141.68 42.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.6 OUTLIER -68.55 -34.25 75.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -38.93 71.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1165 ' ' VAL . . . . . 0.444 ' CG2' ' HB3' ' A' 1162 ' ' SER . 30.8 t -62.55 -51.98 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1166 ' ' SER . . . . . . . . . . . . . 3.5 t -70.87 -33.75 70.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1167 ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' 1163 ' ' SER . 8.0 t0 -63.65 -42.57 98.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -66.98 -42.62 84.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 109.228 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 1.1 tpt -59.93 -51.28 70.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1170 ' ' THR . . . . . 0.456 ' CG2' ' ND2' ' A' 1150 ' ' ASN . 17.3 m -67.0 -40.25 87.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.468 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1171 ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.5 OUTLIER -57.89 -46.78 84.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.249 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.35 -44.23 92.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1173 ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.17 -36.4 70.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.387 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 8.0 ttt -63.48 -10.46 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 1.7 tttt -84.71 8.3 17.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -155.23 -55.01 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.407 1.067 . . . . 0.0 111.055 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1177 ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -126.18 159.24 33.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 0.76 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1178 ' ' THR . . . . . 0.724 ' HB ' HG23 ' A' 1194 ' ' ILE . 1.0 OUTLIER -94.82 120.36 34.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -112.61 127.87 56.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1180 ' ' ILE . . . . . . . . . . . . . 4.5 pt -138.44 130.31 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1181 ' ' LEU . . . . . . . . . . . . . 2.7 tt -101.24 140.7 35.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1182 ' ' VAL . . . . . 0.956 HG13 HG23 ' A' 1148 ' ' ILE . 3.1 t -119.09 119.7 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1183 ' ' ALA . . . . . 0.665 ' HB3' HD21 ' A' 1154 ' ' LEU . . . -118.01 149.61 40.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1184 ' ' ILE . . . . . 0.596 HD12 HG22 ' A' 1146 ' ' VAL . 0.5 OUTLIER -109.89 115.59 50.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 15.8 t0 56.84 39.49 29.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1186 ' ' GLY . . . . . 0.748 ' H ' HD13 ' A' 1147 ' ' LEU . . . 71.68 15.03 75.49 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1187 ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' 1184 ' ' ILE . 2.1 t -116.68 154.63 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1188 ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' 1045 ' ' LEU . 0.7 OUTLIER -59.83 144.84 47.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1189 ' ' CYS . . . . . 0.581 ' O ' ' N ' ' A' 1046 ' ' GLY . 3.1 t -147.25 -57.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 108.277 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1190 ' ' GLY . . . . . 0.448 ' HA2' ' HB2' ' A' 1045 ' ' LEU . . . 179.47 157.01 19.02 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1191 ' ' MET . . . . . . . . . . . . . 33.9 ttp -121.05 143.78 48.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1192 ' ' ILE . . . . . . . . . . . . . 2.0 mm -109.21 135.25 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -125.37 122.35 36.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1194 ' ' ILE . . . . . 0.942 HD11 ' HB2' ' A' 1037 ' ' PRO . 0.5 OUTLIER -117.78 141.2 37.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' 1040 ' ' MET . . . -125.37 104.11 8.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 9.2 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.244 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.068 -0.397 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1038 ' ' ARG . . . . . 0.918 ' HA ' HD13 ' A' 1071 ' ' LEU . 0.0 OUTLIER -136.25 163.32 30.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1039 ' ' VAL . . . . . . . . . . . . . 4.4 p -68.18 136.25 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1040 ' ' MET . . . . . 0.688 ' CG ' ' HB3' ' A' 1195 ' ' ALA . 0.0 OUTLIER -93.51 -44.21 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.49 157.05 8.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.239 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.17 138.65 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.77 150.5 39.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.901 ' O ' HD22 ' A' 1045 ' ' LEU . 3.1 tp -78.19 135.29 37.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1045 ' ' LEU . . . . . 0.901 HD22 ' O ' ' A' 1044 ' ' LEU . 1.5 mm? -143.12 24.47 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1046 ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -132.04 118.64 2.33 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.555 1.159 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.04 143.42 30.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.612 0.831 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1048 ' ' VAL . . . . . 0.717 HG12 ' O ' ' A' 1048 ' ' VAL . 81.2 t -91.1 26.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -94.01 -5.3 47.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 0.0 109.256 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1050 ' ' THR . . . . . 0.679 ' O ' HD12 ' A' 1051 ' ' LEU . 3.3 m -116.56 -35.08 4.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.374 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1051 ' ' LEU . . . . . 0.702 HD23 ' HD2' ' A' 1052 ' ' PRO . 0.1 OUTLIER -161.53 172.46 5.66 Favored Pre-proline 0 C--N 1.327 -0.408 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1052 ' ' PRO . . . . . 0.702 ' HD2' HD23 ' A' 1051 ' ' LEU . 18.3 Cg_endo -75.0 133.21 16.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.779 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 4.1 tp -71.06 -26.87 63.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1054 ' ' ARG . . . . . 0.465 ' CB ' ' HE2' ' A' 1055 ' ' LYS . 11.1 mmt180 -63.34 -47.69 81.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1055 ' ' LYS . . . . . 0.493 ' CG ' ' HG2' ' A' 1052 ' ' PRO . 3.4 mmtt -71.28 -36.92 71.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.404 ' O ' HG12 ' A' 1059 ' ' VAL . 3.3 t -61.93 -46.2 97.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.05 -35.76 82.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1058 ' ' ALA . . . . . 0.409 ' O ' ' HB ' ' A' 1062 ' ' THR . . . -61.07 -47.21 87.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1059 ' ' VAL . . . . . 0.694 HG21 ' HD2' ' A' 1144 ' ' PHE . 0.4 OUTLIER -69.89 -41.33 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1060 ' ' VAL . . . . . 0.414 ' O ' ' CG ' ' A' 1064 ' ' GLU . 3.4 t -59.84 -39.35 79.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.225 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1061 ' ' GLY . . . . . 0.502 ' HA2' ' CG2' ' A' 1076 ' ' THR . . . -74.85 -35.8 49.36 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1062 ' ' THR . . . . . 0.853 ' CG2' HG21 ' A' 1106 ' ' VAL . 0.6 OUTLIER -62.73 -39.24 93.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.413 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1063 ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' 1067 ' ' SER . . . -84.35 -46.3 11.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.369 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1064 ' ' GLU . . . . . 0.648 ' HB2' HG21 ' A' 1076 ' ' THR . 51.9 mm-40 -54.91 -44.74 74.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1065 ' ' ALA . . . . . 0.686 ' O ' HG22 ' A' 1073 ' ' VAL . . . -75.88 -22.31 56.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1066 ' ' SER . . . . . . . . . . . . . 21.0 t -114.23 33.19 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.922 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1067 ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' 1063 ' ' ALA . 38.0 m -82.9 -104.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1068 ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' 1067 ' ' SER . 0.1 OUTLIER 164.51 44.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.239 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1069 ' ' HIS . . . . . 0.424 ' HA ' ' HD3' ' A' 1070 ' ' PRO . 16.5 t60 -123.89 134.49 25.4 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.552 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1070 ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' 1069 ' ' HIS . 18.1 Cg_endo -75.08 55.81 4.1 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1071 ' ' LEU . . . . . 0.918 HD13 ' HA ' ' A' 1038 ' ' ARG . 0.1 OUTLIER 172.08 -49.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . 0.45 ' N ' ' HG ' ' A' 1071 ' ' LEU . . . -63.15 -47.6 86.88 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.542 1.151 . . . . 0.0 111.058 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1073 ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' 1065 ' ' ALA . 0.4 OUTLIER -60.95 -42.36 92.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -67.37 -35.53 79.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1075 ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' 1071 ' ' LEU . 2.4 t -61.64 -43.01 96.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1076 ' ' THR . . . . . 0.648 HG21 ' HB2' ' A' 1064 ' ' GLU . 0.2 OUTLIER -67.17 -45.28 77.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.392 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -47.24 80.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -41.1 97.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1079 ' ' CYS . . . . . 0.575 ' O ' HD12 ' A' 1083 ' ' LEU . 0.5 OUTLIER -63.95 -36.85 85.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 108.285 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1080 ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' 1085 ' ' THR . 0.0 OUTLIER -64.09 -42.9 96.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -62.93 -39.14 93.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 110.364 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.56 -21.49 48.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.152 . . . . 0.0 110.334 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1083 ' ' LEU . . . . . 0.575 HD12 ' O ' ' A' 1079 ' ' CYS . 4.1 mt -83.48 -23.13 32.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 86.2 25.76 35.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.048 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1085 ' ' THR . . . . . 0.515 ' O ' ' CG ' ' A' 1080 ' ' LYS . 0.2 OUTLIER -136.82 122.42 19.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.544 0.79 . . . . 0.0 110.413 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.23 23.92 13.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 86.9 m -65.95 149.94 49.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.604 1.19 . . . . 0.0 110.388 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1088 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 179.58 118.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 175.28 36.69 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1090 ' ' TYR . . . . . 0.8 ' OH ' HG12 ' A' 1109 ' ' VAL . 1.5 m-85 -98.26 160.4 14.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1091 ' ' CYS . . . . . 0.616 ' O ' ' HA ' ' A' 1106 ' ' VAL . 1.6 t -97.7 113.26 24.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.097 . . . . 0.0 108.307 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1092 ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' 1105 ' ' LYS . 16.9 p -94.72 162.03 13.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.422 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1093 ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' 1104 ' ' CYS . 0.8 OUTLIER -158.21 76.36 0.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 1.176 . . . . 0.0 109.323 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1094 ' ' PHE . . . . . 0.489 ' HA ' ' CB ' ' A' 1104 ' ' CYS . 6.5 p90 -74.39 168.12 20.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 179.28 125.47 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -95.45 123.2 38.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 44.5 t -109.83 123.86 35.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 135.65 19.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.515 1.797 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 77.54 16.17 80.57 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.41 1.068 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1100 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -137.82 -71.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 158.77 -139.13 6.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 47.6 pt -122.15 138.66 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1103 ' ' GLY . . . . . 0.451 ' HA3' HD12 ' A' 1147 ' ' LEU . . . -141.89 153.15 24.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1104 ' ' CYS . . . . . 0.489 ' CB ' ' HA ' ' A' 1094 ' ' PHE . 31.0 p -156.72 156.1 32.79 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1105 ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' 1092 ' ' THR . 16.6 mttt -123.47 151.93 42.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1106 ' ' VAL . . . . . 0.853 HG21 ' CG2' ' A' 1062 ' ' THR . 15.0 p -145.59 127.49 8.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1107 ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' 1108 ' ' ASN . 37.2 t -151.06 136.13 17.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1108 ' ' ASN . . . . . 0.52 ' CB ' ' O ' ' A' 1107 ' ' SER . 0.9 OUTLIER 154.75 41.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1109 ' ' VAL . . . . . 0.8 HG12 ' OH ' ' A' 1090 ' ' TYR . 0.6 OUTLIER -83.91 -30.98 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -44.44 95.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.235 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.435 1.084 . . . . 0.0 111.022 179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -84.13 127.79 34.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1143 ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' 1107 ' ' SER . 1.2 m -108.39 134.52 51.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1144 ' ' PHE . . . . . 0.694 ' HD2' HG21 ' A' 1059 ' ' VAL . 29.9 m-85 -110.04 142.11 41.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1145 ' ' SER . . . . . . . . . . . . . 95.0 p -115.95 129.02 56.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.028 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1146 ' ' VAL . . . . . 0.411 ' O ' HD13 ' A' 1147 ' ' LEU . 11.8 t -117.96 120.64 65.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1147 ' ' LEU . . . . . 0.57 HD22 ' N ' ' A' 1147 ' ' LEU . 0.4 OUTLIER -114.88 150.8 35.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1148 ' ' ILE . . . . . 0.686 ' N ' HD12 ' A' 1148 ' ' ILE . 0.1 OUTLIER -141.69 154.79 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1149 ' ' GLY . . . . . 0.562 ' HA3' ' CD2' ' A' 1153 ' ' TRP . . . 164.68 -174.86 40.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1150 ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' 1153 ' ' TRP . 5.7 m120 -73.64 159.6 32.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1151 ' ' ARG . . . . . 0.475 HH21 ' HG3' ' A' 1173 ' ' GLU . 49.1 mtt-85 -47.07 -35.21 6.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.235 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1152 ' ' GLU . . . . . 0.463 ' OE2' ' CZ ' ' A' 1156 ' ' ARG . 1.8 tt0 -70.29 -36.08 74.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1153 ' ' TRP . . . . . 1.063 ' CH2' HD13 ' A' 1154 ' ' LEU . 0.0 OUTLIER -58.75 -54.41 47.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.015 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1154 ' ' LEU . . . . . 1.063 HD13 ' CH2' ' A' 1153 ' ' TRP . 1.1 tp -60.07 -39.19 85.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1155 ' ' ARG . . . . . 0.43 ' HA ' ' CB ' ' A' 1159 ' ' LEU . 16.6 tpt85 -56.8 -50.61 71.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.592 1.183 . . . . 0.0 110.357 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1156 ' ' ARG . . . . . 0.463 ' CZ ' ' OE2' ' A' 1152 ' ' GLU . 5.6 mtm-85 -66.95 -25.51 66.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 6.6 t30 -68.83 -39.2 80.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 147.53 61.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.43 ' CB ' ' HA ' ' A' 1155 ' ' ARG . 0.2 OUTLIER -120.27 -165.2 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 0.726 . . . . 0.0 109.28 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1160 ' ' THR . . . . . 0.644 HG22 ' H ' ' A' 1161 ' ' ILE . 2.5 m -114.12 -167.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.347 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1161 ' ' ILE . . . . . 0.644 ' H ' HG22 ' A' 1160 ' ' THR . 1.0 OUTLIER 67.51 159.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.346 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1162 ' ' SER . . . . . 0.456 ' HB3' ' CG2' ' A' 1165 ' ' VAL . 35.2 t -69.08 144.31 53.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.941 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.2 OUTLIER -66.24 -35.79 81.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.77 -39.77 69.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1165 ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' 1162 ' ' SER . 54.5 t -65.72 -49.35 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1166 ' ' SER . . . . . . . . . . . . . 4.8 t -69.03 -37.02 78.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.179 . . . . 0.0 109.945 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1167 ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' 1163 ' ' SER . 11.8 t0 -66.04 -39.58 90.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1168 ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' 1172 ' ' HIS . . . -69.99 -40.5 75.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -49.3 73.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1170 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -43.95 97.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1171 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.64 -40.84 96.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.609 1.193 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1172 ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' 1168 ' ' ALA . 0.3 OUTLIER -54.64 -48.11 72.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.619 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1173 ' ' GLU . . . . . 0.475 ' HG3' HH21 ' A' 1151 ' ' ARG . 19.5 mm-40 -57.39 -46.62 83.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 1.3 ttm -64.09 -9.33 15.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.84 10.17 16.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -158.47 -57.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1177 ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' 1173 ' ' GLU . 57.5 mt-30 -125.94 174.73 8.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 110.25 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1178 ' ' THR . . . . . . . . . . . . . 3.6 m -96.27 119.3 34.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.362 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -114.26 127.6 55.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1180 ' ' ILE . . . . . . . . . . . . . 10.2 pt -144.12 130.69 16.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1181 ' ' LEU . . . . . 0.425 ' HG ' ' CB ' ' A' 1191 ' ' MET . 0.0 OUTLIER -108.26 143.66 36.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1182 ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' 1190 ' ' GLY . 1.5 m -119.65 123.12 70.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1183 ' ' ALA . . . . . 0.843 ' HB2' HD21 ' A' 1154 ' ' LEU . . . -116.65 150.33 38.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1184 ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' 1184 ' ' ILE . 1.4 tt -109.12 113.69 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 27.6 t0 56.52 39.8 29.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 0.0 109.239 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.71 15.61 77.88 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1187 ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' 1184 ' ' ILE . 2.1 t -116.55 154.82 18.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1188 ' ' LEU . . . . . 0.763 HD21 ' CD1' ' A' 1045 ' ' LEU . 0.4 OUTLIER -59.38 143.69 48.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1189 ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' 1046 ' ' GLY . 1.7 t -144.54 -67.31 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 108.369 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1190 ' ' GLY . . . . . 0.486 ' HA2' ' HB2' ' A' 1045 ' ' LEU . . . -169.57 160.6 33.82 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.426 1.079 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1191 ' ' MET . . . . . 0.425 ' CB ' ' HG ' ' A' 1181 ' ' LEU . 5.7 ptm -124.39 140.87 52.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 0.742 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1192 ' ' ILE . . . . . . . . . . . . . 37.1 mt -109.42 134.98 49.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -122.67 118.98 29.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1194 ' ' ILE . . . . . . . . . . . . . 3.0 mt -106.53 140.25 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . 0.688 ' HB3' ' CG ' ' A' 1040 ' ' MET . . . -141.03 103.21 4.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.606 1.191 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1196 ' ' ASP . . . . . 0.96 ' OXT' ' OD1' ' A' 1196 ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.862 0 N-CA-C 110.939 -0.447 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1038 ' ' ARG . . . . . 0.42 ' HB3' HD12 ' A' 1071 ' ' LEU . 0.5 OUTLIER -135.33 162.94 31.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1039 ' ' VAL . . . . . 0.811 HG21 HG21 ' A' 1075 ' ' VAL . 1.0 OUTLIER -69.73 131.63 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.234 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1040 ' ' MET . . . . . 0.685 ' HB2' ' HB3' ' A' 1195 ' ' ALA . 1.1 ttt -100.75 -43.55 6.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 2.0 ptt85 -169.37 156.72 7.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.327 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 1.7 p -120.06 139.26 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.51 150.62 40.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 18.1 tp -76.51 140.06 41.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1045 ' ' LEU . . . . . 0.552 ' O ' ' CB ' ' A' 1188 ' ' LEU . 1.5 tp -144.45 23.32 1.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1046 ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -85.21 -145.97 8.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.148 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 8.1 t0 -179.54 174.38 0.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 0.787 . . . . 0.0 109.263 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1048 ' ' VAL . . . . . . . . . . . . . 3.0 t -87.71 45.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1049 ' ' ALA . . . . . 0.532 ' O ' ' CB ' ' A' 1050 ' ' THR . . . -79.4 6.35 10.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1050 ' ' THR . . . . . 0.532 ' CB ' ' O ' ' A' 1049 ' ' ALA . 2.5 m 84.53 6.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.455 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1051 ' ' LEU . . . . . 0.449 HD23 ' HB3' ' A' 1049 ' ' ALA . 2.5 pp -80.9 138.53 49.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1052 ' ' PRO . . . . . 0.457 ' HG2' ' CB ' ' A' 1055 ' ' LYS . 18.2 Cg_endo -74.98 132.16 15.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.06 -40.37 62.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 109.36 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -62.27 -40.91 97.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1055 ' ' LYS . . . . . 0.457 ' CB ' ' HG2' ' A' 1052 ' ' PRO . 0.0 OUTLIER -66.62 -50.14 63.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' 1060 ' ' VAL . 0.4 OUTLIER -58.24 -40.16 76.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.08 -35.27 80.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1058 ' ' ALA . . . . . 0.429 ' O ' ' HB ' ' A' 1062 ' ' THR . . . -71.42 -33.7 69.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1059 ' ' VAL . . . . . 0.615 ' O ' HG22 ' A' 1062 ' ' THR . 15.0 t -70.79 -50.8 41.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1060 ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' 1056 ' ' VAL . 40.5 t -69.91 -34.27 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1061 ' ' GLY . . . . . . . . . . . . . . . -69.0 -48.74 45.82 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1062 ' ' THR . . . . . 0.615 HG22 ' O ' ' A' 1059 ' ' VAL . 15.0 t -60.47 -36.47 78.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 0.796 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1063 ' ' ALA . . . . . 0.493 ' HA ' HG21 ' A' 1092 ' ' THR . . . -73.04 -52.88 12.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.369 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1064 ' ' GLU . . . . . 0.656 ' O ' HG22 ' A' 1073 ' ' VAL . 7.1 mt-10 -54.34 -45.92 72.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1065 ' ' ALA . . . . . 0.816 ' HB2' ' HB ' ' A' 1076 ' ' THR . . . -62.61 -22.89 66.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.41 1.069 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1066 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.95 34.29 5.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.936 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1067 ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' 1063 ' ' ALA . 41.9 t -89.24 -147.98 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 110.028 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1068 ' ' GLU . . . . . 0.417 ' N ' ' OG ' ' A' 1067 ' ' SER . 0.7 OUTLIER -120.43 -4.07 9.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1069 ' ' HIS . . . . . 0.427 ' HA ' ' HD3' ' A' 1070 ' ' PRO . 3.1 t60 -82.43 133.88 49.31 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.58 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1070 ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' 1069 ' ' HIS . 18.0 Cg_endo -75.04 -27.0 10.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 110.947 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1071 ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' 1075 ' ' VAL . 1.0 OUTLIER -98.71 -27.61 13.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -65.99 -49.86 55.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1073 ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' 1065 ' ' ALA . 33.8 t -62.7 -37.13 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.71 79.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1075 ' ' VAL . . . . . 0.811 HG21 HG21 ' A' 1039 ' ' VAL . 3.2 t -62.49 -42.02 94.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1076 ' ' THR . . . . . 0.816 ' HB ' ' HB2' ' A' 1065 ' ' ALA . 0.2 OUTLIER -70.06 -44.66 68.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.468 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -48.1 81.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.232 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 84.2 t80 -61.93 -52.07 65.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1079 ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' 1083 ' ' LEU . 1.0 OUTLIER -58.97 -32.49 69.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.403 1.064 . . . . 0.0 108.321 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1080 ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' 1085 ' ' THR . 0.0 OUTLIER -61.38 -46.5 89.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -63.2 -39.03 93.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -20.87 48.59 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.459 1.1 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1083 ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' 1079 ' ' CYS . 5.7 mt -84.49 -23.41 29.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 76.49 25.49 65.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.549 1.155 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1085 ' ' THR . . . . . 0.504 ' O ' ' CG ' ' A' 1080 ' ' LYS . 2.2 p -135.95 120.19 17.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1086 ' ' GLU . . . . . 0.441 ' O ' ' O ' ' A' 1087 ' ' THR . 2.9 pm0 -44.59 -35.06 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.272 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.577 HG23 ' N ' ' A' 1088 ' ' LEU . 0.6 OUTLIER 47.55 -178.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1088 ' ' LEU . . . . . 0.791 HD13 ' O ' ' A' 1088 ' ' LEU . 0.5 OUTLIER 68.27 -0.04 2.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1089 ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' 1087 ' ' THR . . . -68.96 -14.3 67.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1090 ' ' TYR . . . . . 0.646 ' OH ' HG23 ' A' 1109 ' ' VAL . 2.8 m-85 -81.22 160.0 24.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.433 0.726 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1091 ' ' CYS . . . . . 0.758 ' O ' ' HA ' ' A' 1106 ' ' VAL . 5.6 t -93.59 135.39 34.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1092 ' ' THR . . . . . 0.493 HG21 ' HA ' ' A' 1063 ' ' ALA . 54.9 p -118.2 163.33 16.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -165.1 81.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1094 ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' 1094 ' ' PHE . 0.1 OUTLIER -74.24 171.91 12.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 2.3 tt0 175.8 151.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -110.85 133.43 53.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1097 ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' 1098 ' ' PRO . 14.3 t -112.7 127.22 27.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1098 ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' 1097 ' ' VAL . 18.4 Cg_endo -74.94 142.06 27.6 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 65.74 27.34 72.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 110.971 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1100 ' ' CYS . . . . . 0.547 ' HB3' ' CH2' ' A' 1153 ' ' TRP . 7.4 m -148.67 -67.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 155.76 -124.65 1.52 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . 0.407 ' CD1' ' HA2' ' A' 1149 ' ' GLY . 0.8 OUTLIER -130.2 160.64 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 0.0 109.272 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -161.2 168.72 36.57 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1104 ' ' CYS . . . . . 0.469 ' CB ' ' HA ' ' A' 1094 ' ' PHE . 28.4 p -161.64 159.61 27.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1105 ' ' LYS . . . . . 0.457 ' HE3' HG21 ' A' 1143 ' ' THR . 20.2 ttpt -129.25 154.74 46.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1106 ' ' VAL . . . . . 0.758 ' HA ' ' O ' ' A' 1091 ' ' CYS . 4.0 p -140.61 141.68 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 109.262 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1107 ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' 1091 ' ' CYS . 79.9 p -151.69 138.46 18.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1108 ' ' ASN . . . . . 0.533 ' CB ' ' HA ' ' A' 1090 ' ' TYR . 0.4 OUTLIER 162.72 -38.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1109 ' ' VAL . . . . . 0.646 HG23 ' OH ' ' A' 1090 ' ' TYR . 5.8 p -48.95 -24.43 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . 0.449 ' CD ' ' N ' ' A' 1111 ' ' GLY . 3.1 pp20? -65.48 -44.73 86.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . 0.449 ' N ' ' CD ' ' A' 1110 ' ' GLU . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.882 0 N-CA-C 111.057 -0.401 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -86.9 113.14 22.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1143 ' ' THR . . . . . 0.457 HG21 ' HE3' ' A' 1105 ' ' LYS . 1.4 m -121.5 134.11 55.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1144 ' ' PHE . . . . . 0.646 ' CE2' HG11 ' A' 1109 ' ' VAL . 31.5 m-85 -107.2 141.44 38.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1145 ' ' SER . . . . . . . . . . . . . 41.6 p -119.67 127.79 53.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.024 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1146 ' ' VAL . . . . . 0.818 HG22 HD12 ' A' 1184 ' ' ILE . 53.2 t -114.15 139.38 40.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1147 ' ' LEU . . . . . 0.794 HD13 HD21 ' A' 1157 ' ' ASN . 13.4 mt -107.82 142.2 38.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1148 ' ' ILE . . . . . 0.487 HG23 HG22 ' A' 1182 ' ' VAL . 0.5 OUTLIER -129.5 133.63 64.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.418 1.074 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1149 ' ' GLY . . . . . 0.407 ' HA2' ' CD1' ' A' 1102 ' ' ILE . . . 172.75 177.03 41.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 5.4 m120 -68.53 176.6 2.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.75 . . . . 0.0 109.279 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1151 ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -64.38 -27.28 68.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.367 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1152 ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.35 -43.55 81.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1153 ' ' TRP . . . . . 0.547 ' CH2' ' HB3' ' A' 1100 ' ' CYS . 11.8 t-105 -58.68 -53.81 54.12 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1154 ' ' LEU . . . . . 1.019 HD11 ' HB2' ' A' 1183 ' ' ALA . 2.8 mm? -60.32 -40.48 90.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1155 ' ' ARG . . . . . 0.541 ' NH2' HD12 ' A' 1159 ' ' LEU . 0.0 OUTLIER -56.29 -50.95 69.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 110.233 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -72.11 -21.1 61.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1157 ' ' ASN . . . . . 0.794 HD21 HD13 ' A' 1147 ' ' LEU . 15.1 t-20 -63.32 -47.41 82.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 161.09 56.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.541 HD12 ' NH2' ' A' 1155 ' ' ARG . 0.5 OUTLIER -124.0 -163.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1160 ' ' THR . . . . . 0.641 HG22 ' H ' ' A' 1161 ' ' ILE . 2.5 m -106.81 -166.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.384 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1161 ' ' ILE . . . . . 0.641 ' H ' HG22 ' A' 1160 ' ' THR . 3.0 mt 62.86 155.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1162 ' ' SER . . . . . 0.451 ' HB3' ' CG2' ' A' 1165 ' ' VAL . 32.5 t -70.97 144.77 50.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' 1167 ' ' ASP . 3.7 m -65.13 -37.04 86.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 6.5 t0 -70.73 -42.79 70.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1165 ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' 1162 ' ' SER . 69.0 t -62.93 -49.6 82.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1166 ' ' SER . . . . . 0.487 ' CB ' ' HG2' ' A' 1155 ' ' ARG . 5.6 t -68.8 -32.52 72.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.034 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1167 ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' 1163 ' ' SER . 2.9 t70 -64.99 -43.91 91.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -66.93 -38.54 86.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 2.4 tpt -65.07 -50.79 64.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1170 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.94 -45.59 92.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 110.428 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1171 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -39.56 92.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1172 ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' A' 1175 ' ' LYS . 3.8 t-160 -53.95 -45.87 71.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.624 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1173 ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' 1177 ' ' GLN . 1.9 tt0 -60.87 -36.69 79.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 4.5 mtp -64.4 -10.99 28.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1175 ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' 1172 ' ' HIS . 26.7 mttt -89.8 11.49 19.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -156.34 -56.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.427 1.08 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1177 ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' 1173 ' ' GLU . 1.7 mt-30 -125.76 174.46 8.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1178 ' ' THR . . . . . . . . . . . . . 1.1 m -132.0 118.47 19.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -134.28 135.63 42.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1180 ' ' ILE . . . . . 0.555 HG13 HG22 ' A' 1192 ' ' ILE . 13.6 pt -112.56 146.85 16.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.429 1.081 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1181 ' ' LEU . . . . . . . . . . . . . 6.4 mp -99.38 138.56 36.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.625 1.203 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1182 ' ' VAL . . . . . 0.487 HG22 HG23 ' A' 1148 ' ' ILE . 0.9 OUTLIER -118.27 120.39 64.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1183 ' ' ALA . . . . . 1.019 ' HB2' HD11 ' A' 1154 ' ' LEU . . . -115.97 150.51 37.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1184 ' ' ILE . . . . . 0.818 HD12 HG22 ' A' 1146 ' ' VAL . 1.5 tp -109.32 111.27 35.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 6.0 t0 56.29 40.55 29.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.33 15.01 76.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1187 ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' 1184 ' ' ILE . 2.2 t -115.98 154.12 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1188 ' ' LEU . . . . . 0.552 ' CB ' ' O ' ' A' 1045 ' ' LEU . 0.4 OUTLIER -59.94 141.84 54.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1189 ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' 1046 ' ' GLY . 2.1 t -144.71 -64.59 0.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 108.258 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1190 ' ' GLY . . . . . 0.548 ' HA2' ' CB ' ' A' 1045 ' ' LEU . . . 177.88 159.02 22.0 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.099 . . . . 0.0 111.068 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1191 ' ' MET . . . . . 0.479 ' SD ' HD13 ' A' 1045 ' ' LEU . 20.8 ptt? -127.52 148.64 50.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1192 ' ' ILE . . . . . 0.555 HG22 HG13 ' A' 1180 ' ' ILE . 0.6 OUTLIER -107.93 133.97 51.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -106.89 128.43 54.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.091 . . . . 0.0 109.235 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1194 ' ' ILE . . . . . 0.433 ' CD1' ' HA ' ' A' 1039 ' ' VAL . 1.4 mp -111.97 130.2 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.369 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . 0.685 ' HB3' ' HB2' ' A' 1040 ' ' MET . . . -139.37 109.94 6.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.234 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1196 ' ' ASP . . . . . 0.511 ' OXT' ' O ' ' A' 1195 ' ' ALA . 3.9 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.87 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1038 ' ' ARG . . . . . . . . . . . . . 13.9 mmt-85 -108.79 164.16 12.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1039 ' ' VAL . . . . . 0.445 HG23 HG23 ' A' 1192 ' ' ILE . 3.7 p -68.13 136.75 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1040 ' ' MET . . . . . 0.792 ' HG3' ' HB3' ' A' 1195 ' ' ALA . 0.2 OUTLIER -96.06 -42.16 8.38 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -167.92 157.14 9.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 3.0 t -119.72 137.79 52.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.73 138.75 42.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . 0.428 ' O ' HD12 ' A' 1045 ' ' LEU . 4.5 mt -80.28 131.7 35.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1045 ' ' LEU . . . . . 0.669 ' O ' HD23 ' A' 1188 ' ' LEU . 0.2 OUTLIER -144.98 25.85 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 109.3 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1046 ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -127.67 117.2 2.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 1.1 t0 -70.47 116.72 11.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.316 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1048 ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' 1051 ' ' LEU . 14.1 t -93.22 33.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -92.6 -10.05 38.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1050 ' ' THR . . . . . . . . . . . . . 2.0 m -127.77 -36.67 2.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.421 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1051 ' ' LEU . . . . . 0.707 ' O ' HG13 ' A' 1048 ' ' VAL . 1.7 mt -113.82 149.49 41.89 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1052 ' ' PRO . . . . . 0.444 ' HG2' ' CB ' ' A' 1055 ' ' LYS . 18.5 Cg_endo -74.93 138.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.461 1.769 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1053 ' ' LEU . . . . . 0.652 ' HB2' HG21 ' A' 1048 ' ' VAL . 10.8 tp -73.85 -40.43 63.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.367 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -59.6 -48.26 82.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 110.364 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1055 ' ' LYS . . . . . 0.444 ' CB ' ' HG2' ' A' 1052 ' ' PRO . 0.0 OUTLIER -64.1 -46.08 85.8 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' 1060 ' ' VAL . 2.5 t -57.93 -40.5 76.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1057 ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' 1057 ' ' LEU . 0.2 OUTLIER -64.93 -35.67 81.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -68.68 -46.57 68.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1059 ' ' VAL . . . . . 0.63 HG22 HG11 ' A' 1106 ' ' VAL . 0.4 OUTLIER -61.48 -46.14 97.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.384 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1060 ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' 1056 ' ' VAL . 79.9 t -67.52 -35.57 73.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1061 ' ' GLY . . . . . 0.648 ' HA2' HG22 ' A' 1076 ' ' THR . . . -61.87 -47.1 92.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.553 1.158 . . . . 0.0 111.07 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1062 ' ' THR . . . . . 0.566 ' CG2' ' HB2' ' A' 1090 ' ' TYR . 11.1 m -75.53 -33.28 60.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 110.35 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1063 ' ' ALA . . . . . . . . . . . . . . . -56.81 -54.22 48.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1064 ' ' GLU . . . . . 0.767 ' O ' HG22 ' A' 1073 ' ' VAL . 1.8 mt-10 -75.43 -46.17 34.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.357 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1065 ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' 1061 ' ' GLY . . . -55.71 -23.06 26.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1066 ' ' SER . . . . . . . . . . . . . 7.2 t -113.27 28.21 8.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1067 ' ' SER . . . . . 0.557 ' HA ' ' CZ ' ' A' 1094 ' ' PHE . 82.8 p -103.84 159.61 15.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1068 ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -83.5 34.69 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1069 ' ' HIS . . . . . 0.438 ' CD2' ' HD2' ' A' 1070 ' ' PRO . 0.5 OUTLIER -113.8 123.5 32.8 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.591 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1070 ' ' PRO . . . . . 0.438 ' HD2' ' CD2' ' A' 1069 ' ' HIS . 18.5 Cg_endo -74.93 4.11 4.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.517 1.799 . . . . 0.0 111.015 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1071 ' ' LEU . . . . . 0.51 HD12 HG23 ' A' 1075 ' ' VAL . 0.1 OUTLIER -122.37 -44.91 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . 0.413 ' O ' ' OG1' ' A' 1076 ' ' THR . . . -63.69 -39.48 97.56 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1073 ' ' VAL . . . . . 0.767 HG22 ' O ' ' A' 1064 ' ' GLU . 92.8 t -66.97 -44.46 88.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.451 0.736 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1074 ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' 1078 ' ' TYR . . . -66.28 -35.51 80.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1075 ' ' VAL . . . . . 0.51 HG23 HD12 ' A' 1071 ' ' LEU . 2.5 t -60.9 -48.56 88.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1076 ' ' THR . . . . . 0.648 HG22 ' HA2' ' A' 1061 ' ' GLY . 0.3 OUTLIER -70.21 -44.18 69.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.37 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -41.68 77.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1078 ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' 1074 ' ' ALA . 2.5 t80 -66.74 -46.18 76.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -58.99 -36.67 75.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 108.234 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -40.95 85.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -40.94 98.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.237 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -78.32 -21.37 49.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.245 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 9.5 mt -83.97 -23.14 31.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 79.38 31.73 40.74 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.561 1.163 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1085 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.96 122.28 19.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 0.792 . . . . 0.0 110.342 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -97.66 13.39 30.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' 1088 ' ' LEU . 25.6 m -53.58 146.25 13.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1088 ' ' LEU . . . . . 0.459 ' CB ' ' O ' ' A' 1087 ' ' THR . 0.3 OUTLIER 166.45 156.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 134.82 36.42 0.22 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1090 ' ' TYR . . . . . 0.645 ' OH ' HG23 ' A' 1109 ' ' VAL . 2.8 m-85 -93.68 161.67 14.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.74 . . . . 0.0 110.968 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1091 ' ' CYS . . . . . 0.614 ' O ' ' HA ' ' A' 1106 ' ' VAL . 16.5 t -95.31 113.39 25.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 108.287 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1092 ' ' THR . . . . . 0.536 ' HB ' ' CE1' ' A' 1094 ' ' PHE . 2.7 p -95.71 163.33 13.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -154.99 74.37 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1094 ' ' PHE . . . . . 0.557 ' CZ ' ' HA ' ' A' 1067 ' ' SER . 17.0 m-85 -77.18 133.75 38.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -154.27 132.77 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -90.72 128.23 36.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 9.7 m -114.02 131.43 23.17 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 152.16 40.1 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.449 1.763 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 62.7 20.86 62.29 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.544 1.153 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1100 ' ' CYS . . . . . 0.582 ' SG ' ' CZ3' ' A' 1153 ' ' TRP . 1.6 m -144.48 -74.63 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 159.65 -130.35 2.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 6.3 pt -126.21 135.86 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 0.742 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -133.01 169.58 22.5 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.059 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1104 ' ' CYS . . . . . . . . . . . . . 3.5 p -162.88 139.07 7.24 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1105 ' ' LYS . . . . . 0.476 ' O ' ' HA ' ' A' 1092 ' ' THR . 3.6 mttt -108.23 154.33 21.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.593 1.183 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1106 ' ' VAL . . . . . 0.63 HG11 HG22 ' A' 1059 ' ' VAL . 5.8 p -141.78 130.18 22.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1107 ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' 1108 ' ' ASN . 24.7 p -150.1 135.79 18.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1108 ' ' ASN . . . . . 0.533 ' CB ' ' HA ' ' A' 1090 ' ' TYR . 0.2 OUTLIER 161.48 -27.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1109 ' ' VAL . . . . . 0.645 HG23 ' OH ' ' A' 1090 ' ' TYR . 7.6 p -48.55 -25.23 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -45.68 85.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.948 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.933 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 110.98 -0.431 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.14 141.76 32.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1143 ' ' THR . . . . . . . . . . . . . 8.5 t -121.38 135.51 55.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.405 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -105.25 139.7 39.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1145 ' ' SER . . . . . . . . . . . . . 15.9 t -119.72 130.66 55.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 0.0 110.019 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1146 ' ' VAL . . . . . 0.688 HG22 HD12 ' A' 1184 ' ' ILE . 57.8 t -120.34 128.7 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1147 ' ' LEU . . . . . 0.451 ' O ' HD21 ' A' 1154 ' ' LEU . 1.1 mp -108.05 120.12 41.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1148 ' ' ILE . . . . . 1.029 HG22 HG13 ' A' 1182 ' ' VAL . 0.1 OUTLIER -120.58 157.39 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 166.16 -154.63 25.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.584 1.178 . . . . 0.0 110.965 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 5.4 m120 -68.78 142.88 54.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.761 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1151 ' ' ARG . . . . . 0.474 ' O ' ' CG ' ' A' 1155 ' ' ARG . 3.1 mtm180 -54.69 -27.3 39.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1152 ' ' GLU . . . . . 0.468 ' CB ' ' HA ' ' A' 1167 ' ' ASP . 0.5 OUTLIER -70.03 -38.89 76.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.236 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1153 ' ' TRP . . . . . 0.582 ' CZ3' ' SG ' ' A' 1100 ' ' CYS . 0.1 OUTLIER -74.03 -52.32 13.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 107.988 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1154 ' ' LEU . . . . . 1.036 HD11 ' HB2' ' A' 1183 ' ' ALA . 0.1 OUTLIER -55.97 -47.14 78.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1155 ' ' ARG . . . . . 0.493 ' HB3' ' CB ' ' A' 1160 ' ' THR . 0.9 OUTLIER -62.29 -50.32 72.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -64.94 -16.42 63.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 43.3 t30 -76.52 -66.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1158 ' ' GLY . . . . . 0.993 ' O ' HD23 ' A' 1159 ' ' LEU . . . -63.4 -67.73 1.95 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.488 1.118 . . . . 0.0 111.072 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.993 HD23 ' O ' ' A' 1158 ' ' GLY . 0.0 OUTLIER 177.18 122.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1160 ' ' THR . . . . . 0.604 HG22 ' H ' ' A' 1161 ' ' ILE . 62.2 m -162.69 177.45 9.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 110.364 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1161 ' ' ILE . . . . . 0.724 HG23 ' N ' ' A' 1162 ' ' SER . 0.4 OUTLIER -59.62 -153.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.323 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1162 ' ' SER . . . . . 0.724 ' N ' HG23 ' A' 1161 ' ' ILE . 47.9 t -66.67 143.39 57.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.048 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.4 OUTLIER -66.28 -32.7 74.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.028 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 2.4 t0 -70.75 -39.24 73.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 19.3 t -69.95 -49.34 57.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.443 1.09 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1166 ' ' SER . . . . . . . . . . . . . 4.0 t -67.46 -33.28 74.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1167 ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' 1163 ' ' SER . 1.1 t70 -66.32 -42.7 87.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -66.88 -36.55 82.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 5.7 mmt -65.19 -48.74 72.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1170 ' ' THR . . . . . . . . . . . . . 3.0 m -66.52 -45.66 78.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1171 ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.8 OUTLIER -58.28 -41.63 84.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.38 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.96 -47.21 86.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.586 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1173 ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -65.71 -37.73 87.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 8.0 ttt -66.92 -9.35 37.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 -10.91 44.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -119.17 -57.37 0.26 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.404 1.065 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1177 ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -126.45 174.88 8.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1178 ' ' THR . . . . . . . . . . . . . 78.5 m -103.2 123.1 46.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.391 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1179 ' ' ALA . . . . . 0.467 ' HB1' ' CZ ' ' A' 1151 ' ' ARG . . . -130.93 128.07 39.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1180 ' ' ILE . . . . . . . . . . . . . 30.6 pt -134.09 129.22 53.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1181 ' ' LEU . . . . . 0.608 HD22 ' CB ' ' A' 1191 ' ' MET . 0.0 OUTLIER -101.75 133.84 45.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1182 ' ' VAL . . . . . 1.029 HG13 HG22 ' A' 1148 ' ' ILE . 60.9 t -119.69 120.15 62.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1183 ' ' ALA . . . . . 1.036 ' HB2' HD11 ' A' 1154 ' ' LEU . . . -116.5 151.6 35.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1184 ' ' ILE . . . . . 0.688 HD12 HG22 ' A' 1146 ' ' VAL . 1.2 tt -108.63 113.56 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 1.6 t70 55.74 40.49 30.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.14 14.67 76.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1187 ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' 1184 ' ' ILE . 2.3 t -114.12 153.74 15.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.492 0.76 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1188 ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' 1045 ' ' LEU . 0.3 OUTLIER -60.84 143.26 55.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1189 ' ' CYS . . . . . 0.593 ' O ' ' N ' ' A' 1046 ' ' GLY . 2.8 t -145.39 -62.63 0.34 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 108.308 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1190 ' ' GLY . . . . . 0.476 ' O ' ' HB ' ' A' 1182 ' ' VAL . . . 177.09 158.67 20.87 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1191 ' ' MET . . . . . 0.608 ' CB ' HD22 ' A' 1181 ' ' LEU . 0.2 OUTLIER -124.55 148.14 47.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 110.997 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1192 ' ' ILE . . . . . 0.445 HG23 HG23 ' A' 1039 ' ' VAL . 19.5 mt -109.01 134.4 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -118.58 125.66 50.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1194 ' ' ILE . . . . . 0.433 ' CG1' ' HA ' ' A' 1039 ' ' VAL . 4.1 mt -112.85 137.32 46.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . 0.792 ' HB3' ' HG3' ' A' 1040 ' ' MET . . . -141.1 106.41 5.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 22.2 t0 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.892 0 N-CA-C 111.022 -0.415 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1038 ' ' ARG . . . . . 0.876 ' HA ' HD21 ' A' 1071 ' ' LEU . 0.2 OUTLIER -108.8 163.45 13.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1039 ' ' VAL . . . . . 0.463 ' CG1' HG21 ' A' 1075 ' ' VAL . 4.9 m -67.73 135.92 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1040 ' ' MET . . . . . 0.49 ' HB2' ' HB3' ' A' 1195 ' ' ALA . 8.1 tpt -94.34 -42.41 8.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1041 ' ' ARG . . . . . 0.501 ' HG2' ' HB3' ' A' 1193 ' ' ALA . 0.0 OUTLIER -168.63 156.91 8.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -116.77 137.21 51.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.47 130.34 54.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.24 110.86 19.91 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1045 ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' 1189 ' ' CYS . 34.4 tp -142.42 84.86 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.223 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1046 ' ' GLY . . . . . 0.404 ' HA2' ' C ' ' A' 1188 ' ' LEU . . . -141.74 -141.99 4.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.439 1.087 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 3.9 t0 -149.76 144.99 26.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 0.755 . . . . 0.0 109.373 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1048 ' ' VAL . . . . . . . . . . . . . 2.3 t -131.02 33.44 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1049 ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' 1050 ' ' THR . . . -84.36 6.7 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1050 ' ' THR . . . . . 0.453 ' CB ' ' O ' ' A' 1049 ' ' ALA . 0.9 OUTLIER 169.29 -30.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1051 ' ' LEU . . . . . . . . . . . . . 23.1 mt -82.06 125.93 76.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 132.61 15.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.459 1.768 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 22.1 tp -77.18 -39.29 49.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -64.55 -47.95 76.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1055 ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' 1058 ' ' ALA . 0.2 OUTLIER -64.92 -47.39 77.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.377 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.64 HG13 HD13 ' A' 1184 ' ' ILE . 3.3 t -58.15 -43.49 85.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1057 ' ' LEU . . . . . 0.433 HD23 HG11 ' A' 1060 ' ' VAL . 9.5 mt -64.3 -33.93 76.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1058 ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' 1055 ' ' LYS . . . -62.47 -47.02 85.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1059 ' ' VAL . . . . . 0.884 HG13 ' CG1' ' A' 1106 ' ' VAL . 20.1 t -69.19 -47.89 71.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1060 ' ' VAL . . . . . 0.433 HG11 HD23 ' A' 1057 ' ' LEU . 0.4 OUTLIER -56.53 -38.82 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1061 ' ' GLY . . . . . . . . . . . . . . . -73.42 -36.45 54.92 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1062 ' ' THR . . . . . 0.61 HG21 ' CB ' ' A' 1090 ' ' TYR . 0.5 OUTLIER -60.24 -40.64 90.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 0.81 . . . . 0.0 110.361 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1063 ' ' ALA . . . . . 0.918 ' HB2' HG21 ' A' 1106 ' ' VAL . . . -83.83 -43.21 15.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1064 ' ' GLU . . . . . 0.503 ' HB3' ' CB ' ' A' 1076 ' ' THR . 27.4 mt-10 -54.56 -43.61 72.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1065 ' ' ALA . . . . . 0.726 ' HB2' HG22 ' A' 1076 ' ' THR . . . -75.03 -22.37 58.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.407 1.067 . . . . 0.0 109.335 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1066 ' ' SER . . . . . . . . . . . . . 25.1 t -112.8 31.62 6.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 109.998 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1067 ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' 1063 ' ' ALA . 5.3 m -71.24 -147.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1068 ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -137.8 11.16 2.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1069 ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -112.68 127.41 26.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.6 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1070 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.68 3.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1071 ' ' LEU . . . . . 0.876 HD21 ' HA ' ' A' 1038 ' ' ARG . 0.7 OUTLIER -167.03 -52.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.599 1.187 . . . . 0.0 109.331 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -59.48 -32.52 73.28 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.573 1.17 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1073 ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' 1065 ' ' ALA . 38.0 t -69.49 -37.95 75.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -68.41 -35.51 77.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.081 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1075 ' ' VAL . . . . . 0.463 HG21 ' CG1' ' A' 1039 ' ' VAL . 74.5 t -63.78 -54.64 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1076 ' ' THR . . . . . 0.726 HG22 ' HB2' ' A' 1065 ' ' ALA . 0.6 OUTLIER -64.78 -41.92 95.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.178 . . . . 0.0 110.364 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -46.16 84.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 64.5 t80 -62.61 -40.12 95.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1079 ' ' CYS . . . . . 0.782 ' O ' HD12 ' A' 1083 ' ' LEU . 0.1 OUTLIER -63.54 -34.14 77.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 108.24 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1080 ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' 1085 ' ' THR . 0.0 OUTLIER -66.91 -43.76 82.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.25 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -42.16 98.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.95 -19.69 51.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1083 ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' 1079 ' ' CYS . 2.1 mt -82.72 -23.31 34.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 69.97 42.18 69.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1085 ' ' THR . . . . . 0.403 ' O ' ' HG2' ' A' 1080 ' ' LYS . 0.2 OUTLIER -134.92 121.8 21.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 110.436 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -91.34 17.24 8.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.421 ' O ' ' CG ' ' A' 1088 ' ' LEU . 1.9 t -55.09 136.06 48.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.355 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1088 ' ' LEU . . . . . 0.421 ' CG ' ' O ' ' A' 1087 ' ' THR . 0.3 OUTLIER 169.55 160.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 109.357 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 116.5 27.95 2.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1090 ' ' TYR . . . . . 0.632 ' OH ' HG23 ' A' 1109 ' ' VAL . 6.1 m-85 -93.32 161.47 14.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 0.751 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1091 ' ' CYS . . . . . 0.591 ' O ' ' HA ' ' A' 1106 ' ' VAL . 4.3 t -94.79 113.32 25.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 108.301 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1092 ' ' THR . . . . . 0.644 HG22 HG22 ' A' 1106 ' ' VAL . 29.7 p -95.65 163.02 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 5.7 t0 -158.2 74.66 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1094 ' ' PHE . . . . . 0.412 ' HA ' ' CB ' ' A' 1104 ' ' CYS . 1.6 p90 -74.64 160.65 30.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -178.76 129.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.405 1.065 . . . . 0.0 110.314 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -95.08 132.5 39.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 3.0 p -115.21 129.24 25.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 148.12 35.22 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.445 1.761 . . . . 0.0 111.023 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 61.13 29.32 70.78 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1100 ' ' CYS . . . . . . . . . . . . . 1.2 m -151.16 -70.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 158.46 -128.93 2.16 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.409 1.068 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' 1148 ' ' ILE . 0.2 OUTLIER -130.09 154.1 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 109.31 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -151.66 159.76 28.43 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1104 ' ' CYS . . . . . 0.412 ' CB ' ' HA ' ' A' 1094 ' ' PHE . 36.0 t -160.84 151.71 18.56 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1105 ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' 1092 ' ' THR . 24.4 mttt -120.04 153.65 35.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.373 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1106 ' ' VAL . . . . . 0.918 HG21 ' HB2' ' A' 1063 ' ' ALA . 7.5 t -144.35 130.34 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1107 ' ' SER . . . . . . . . . . . . . 24.9 p -149.73 142.24 24.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.417 1.073 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1108 ' ' ASN . . . . . 0.53 ' CB ' ' HA ' ' A' 1090 ' ' TYR . 11.9 t-20 168.51 -37.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1109 ' ' VAL . . . . . 0.632 HG23 ' OH ' ' A' 1090 ' ' TYR . 0.4 OUTLIER -48.24 -25.84 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -61.6 -46.84 88.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.934 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.14 117.65 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 110.325 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1143 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.47 134.33 55.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.39 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -106.4 132.49 52.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1145 ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' 1185 ' ' ASP . 96.6 p -115.76 124.38 50.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.967 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1146 ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' 1183 ' ' ALA . 4.1 p -113.27 138.84 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1147 ' ' LEU . . . . . 0.473 HD13 ' CZ2' ' A' 1153 ' ' TRP . 0.0 OUTLIER -122.98 135.24 54.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1148 ' ' ILE . . . . . 0.712 ' O ' HD12 ' A' 1102 ' ' ILE . 0.4 OUTLIER -132.96 157.74 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 158.88 -147.39 14.87 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 11.2 m120 -67.76 138.95 56.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1151 ' ' ARG . . . . . 0.671 ' HB2' HG22 ' A' 1170 ' ' THR . 0.0 OUTLIER -51.14 -27.06 7.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1152 ' ' GLU . . . . . 0.869 ' H ' HG21 ' A' 1170 ' ' THR . 0.0 OUTLIER -67.89 -37.11 81.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1153 ' ' TRP . . . . . 0.584 ' CE3' ' O ' ' A' 1153 ' ' TRP . 1.5 t-105 -66.01 -48.3 71.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1154 ' ' LEU . . . . . 0.796 HD12 ' CB ' ' A' 1183 ' ' ALA . 3.6 mm? -65.6 -36.08 82.7 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1155 ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' 1159 ' ' LEU . 0.0 OUTLIER -65.96 -44.66 84.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.367 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1156 ' ' ARG . . . . . 0.488 ' CZ ' ' OG ' ' A' 1163 ' ' SER . 10.6 mtp180 -71.82 -22.35 61.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.077 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1157 ' ' ASN . . . . . 0.431 ' OD1' HD11 ' A' 1147 ' ' LEU . 8.6 t-20 -82.15 -66.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1158 ' ' GLY . . . . . 0.747 ' C ' HD13 ' A' 1159 ' ' LEU . . . -61.61 -48.35 85.04 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.747 HD13 ' C ' ' A' 1158 ' ' GLY . 0.0 OUTLIER -124.78 -160.56 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.787 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1160 ' ' THR . . . . . 0.501 ' O ' ' CG1' ' A' 1161 ' ' ILE . 1.6 m -127.65 165.02 20.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1161 ' ' ILE . . . . . 0.552 HG23 ' N ' ' A' 1162 ' ' SER . 0.4 OUTLIER 163.93 169.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1162 ' ' SER . . . . . 0.552 ' N ' HG23 ' A' 1161 ' ' ILE . 1.0 OUTLIER -67.5 141.04 57.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 109.99 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . 0.531 ' O ' ' CB ' ' A' 1167 ' ' ASP . 28.0 m -71.65 -39.57 70.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1164 ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' 1168 ' ' ALA . 67.2 t0 -71.73 -41.16 68.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1165 ' ' VAL . . . . . 0.47 HG23 ' HB3' ' A' 1162 ' ' SER . 48.9 t -65.98 -50.19 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1166 ' ' SER . . . . . 0.489 ' HB2' HG22 ' A' 1161 ' ' ILE . 1.9 t -66.75 -46.83 74.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.002 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1167 ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' 1163 ' ' SER . 4.8 t70 -60.85 -37.28 81.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1168 ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' 1164 ' ' ASP . . . -63.23 -45.77 90.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 36.8 mmm -61.6 -49.48 76.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1170 ' ' THR . . . . . 0.869 HG21 ' H ' ' A' 1152 ' ' GLU . 4.4 p -62.43 -46.85 86.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.349 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1171 ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.3 OUTLIER -58.61 -43.86 89.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 3.1 t60 -53.53 -47.34 70.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.639 1.212 . . . . 0.0 109.669 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1173 ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' 1177 ' ' GLN . 6.5 mm-40 -60.53 -37.59 81.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.244 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1174 ' ' MET . . . . . 0.423 ' HA ' ' O ' ' A' 1177 ' ' GLN . 0.0 OUTLIER -76.12 -8.43 57.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.22 10.32 17.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -150.39 -58.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1177 ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' 1174 ' ' MET . 55.9 mm-40 -127.29 174.61 8.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.767 . . . . 0.0 110.327 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1178 ' ' THR . . . . . 0.485 ' CG2' ' HB ' ' A' 1194 ' ' ILE . 53.3 m -96.86 119.09 34.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 110.322 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -127.88 127.51 43.52 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.531 1.145 . . . . 0.0 109.359 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1180 ' ' ILE . . . . . 0.578 HD12 HD11 ' A' 1148 ' ' ILE . 18.6 pt -137.16 133.95 47.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1181 ' ' LEU . . . . . 0.551 HD13 ' HB2' ' A' 1154 ' ' LEU . 0.9 OUTLIER -100.05 137.8 38.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1182 ' ' VAL . . . . . 0.671 HG13 ' HB ' ' A' 1148 ' ' ILE . 1.8 t -120.35 123.33 70.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1183 ' ' ALA . . . . . 0.826 ' O ' HG23 ' A' 1146 ' ' VAL . . . -121.67 144.26 48.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1184 ' ' ILE . . . . . 1.017 ' O ' HG12 ' A' 1187 ' ' VAL . 1.2 tt -112.52 131.26 64.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1185 ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' 1145 ' ' SER . 0.5 OUTLIER 55.27 33.89 21.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.53 14.72 77.48 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.1 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1187 ' ' VAL . . . . . 1.017 HG12 ' O ' ' A' 1184 ' ' ILE . 1.1 p -119.46 153.07 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1188 ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' 1188 ' ' LEU . 0.3 OUTLIER -61.49 149.19 39.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1189 ' ' CYS . . . . . 0.575 ' SG ' ' N ' ' A' 1190 ' ' GLY . 1.9 p -146.07 -46.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 108.322 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1190 ' ' GLY . . . . . 0.575 ' N ' ' SG ' ' A' 1189 ' ' CYS . . . 167.05 155.75 9.28 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1191 ' ' MET . . . . . . . . . . . . . 8.7 ptp -115.17 149.11 38.17 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.483 0.755 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1192 ' ' ILE . . . . . 0.426 ' O ' ' CG1' ' A' 1180 ' ' ILE . 18.3 mt -107.98 128.7 63.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1193 ' ' ALA . . . . . 0.501 ' HB3' ' HG2' ' A' 1041 ' ' ARG . . . -110.66 126.37 54.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1194 ' ' ILE . . . . . 0.485 ' HB ' ' CG2' ' A' 1178 ' ' THR . 6.7 mt -110.01 138.59 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' 1040 ' ' MET . . . -132.0 104.82 7.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 109.313 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1037 ' ' PRO . . . . . 0.582 ' O ' HD13 ' A' 1071 ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.849 0 N-CA-C 111.068 -0.397 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1038 ' ' ARG . . . . . 0.961 ' O ' HG23 ' A' 1194 ' ' ILE . 0.0 OUTLIER -104.21 162.08 13.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1039 ' ' VAL . . . . . 0.706 HG21 HG21 ' A' 1075 ' ' VAL . 3.8 m -68.39 136.57 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1040 ' ' MET . . . . . 0.672 ' SD ' ' HB2' ' A' 1195 ' ' ALA . 8.6 ptt? -100.11 -38.24 8.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1041 ' ' ARG . . . . . 0.682 ' O ' ' HB3' ' A' 1193 ' ' ALA . 0.1 OUTLIER -171.26 158.82 5.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1042 ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' 1191 ' ' MET . 1.7 p -124.33 137.24 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.615 1.197 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1043 ' ' LEU . . . . . 0.469 HD12 ' NE ' ' A' 1041 ' ' ARG . 0.0 OUTLIER -102.23 151.62 22.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 5.1 tp -92.33 131.97 37.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1045 ' ' LEU . . . . . 0.677 HD13 HD11 ' A' 1181 ' ' LEU . 0.3 OUTLIER -146.61 25.88 1.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1046 ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -107.57 -148.62 14.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 1.6 t70 175.61 170.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1048 ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' 1048 ' ' VAL . 42.6 t -113.93 27.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -93.65 -5.88 47.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1050 ' ' THR . . . . . 0.409 ' O ' ' HG ' ' A' 1051 ' ' LEU . 7.9 m -136.62 -39.22 0.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.403 1.064 . . . . 0.0 110.392 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1051 ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' 1048 ' ' VAL . 13.1 mt -153.33 149.77 22.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.224 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 132.6 15.68 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.801 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.25 -27.16 68.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.37 -49.3 76.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.243 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -40.4 94.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1056 ' ' VAL . . . . . 0.408 ' O ' HG12 ' A' 1059 ' ' VAL . 12.7 t -63.57 -38.85 83.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.603 1.189 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1057 ' ' LEU . . . . . 0.468 HD22 ' HA ' ' A' 1057 ' ' LEU . 0.2 OUTLIER -64.54 -36.96 85.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -68.0 -45.26 74.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1059 ' ' VAL . . . . . 0.981 HG23 HG11 ' A' 1109 ' ' VAL . 0.4 OUTLIER -63.26 -42.0 94.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1060 ' ' VAL . . . . . 0.433 HG12 ' O ' ' A' 1057 ' ' LEU . 0.4 OUTLIER -68.44 -34.85 67.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.352 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1061 ' ' GLY . . . . . 0.698 ' HA2' HG22 ' A' 1076 ' ' THR . . . -60.79 -48.35 86.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.421 1.075 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1062 ' ' THR . . . . . 0.858 HG22 ' CB ' ' A' 1090 ' ' TYR . 51.3 m -79.16 -31.05 43.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 0.75 . . . . 0.0 110.425 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1063 ' ' ALA . . . . . 0.607 ' HA ' ' CD2' ' A' 1090 ' ' TYR . . . -62.66 -53.74 49.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1064 ' ' GLU . . . . . 0.872 ' O ' HG22 ' A' 1073 ' ' VAL . 0.1 OUTLIER -71.03 -45.28 64.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1065 ' ' ALA . . . . . 0.838 ' O ' HG13 ' A' 1073 ' ' VAL . . . -54.4 -36.55 64.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1066 ' ' SER . . . . . . . . . . . . . 5.2 t -117.41 35.08 4.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1067 ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' 1068 ' ' GLU . 0.4 OUTLIER -86.68 -27.97 23.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.971 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1068 ' ' GLU . . . . . 0.541 ' CB ' ' O ' ' A' 1067 ' ' SER . 0.4 OUTLIER 89.72 27.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1069 ' ' HIS . . . . . 0.418 ' H ' HG23 ' A' 1073 ' ' VAL . 10.0 t60 -111.09 127.13 27.38 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.647 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1070 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 54.72 3.72 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.47 1.773 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1071 ' ' LEU . . . . . 0.582 HD13 ' O ' ' A' 1037 ' ' PRO . 1.9 mt -178.6 -52.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1072 ' ' GLY . . . . . 0.449 ' O ' ' OG1' ' A' 1076 ' ' THR . . . -67.88 -33.69 80.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.449 1.093 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1073 ' ' VAL . . . . . 0.872 HG22 ' O ' ' A' 1064 ' ' GLU . 75.3 t -70.04 -35.9 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.59 0.817 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -69.33 -38.35 78.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1075 ' ' VAL . . . . . 0.706 HG21 HG21 ' A' 1039 ' ' VAL . 0.4 OUTLIER -61.51 -50.95 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1076 ' ' THR . . . . . 0.698 HG22 ' HA2' ' A' 1061 ' ' GLY . 0.4 OUTLIER -68.53 -38.18 80.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.421 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1077 ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' 1080 ' ' LYS . 1.2 ttpt -58.28 -47.08 84.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.376 1.047 . . . . 0.0 109.252 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -45.02 95.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -61.77 -34.65 76.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 108.307 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1080 ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' 1081 ' ' GLU . 0.0 OUTLIER -67.16 -38.1 84.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1081 ' ' GLU . . . . . 0.424 ' N ' ' HG2' ' A' 1080 ' ' LYS . 4.3 mt-10 -63.64 -44.09 94.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -20.7 52.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 8.9 mt -83.74 -23.03 31.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 70.44 39.96 68.96 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1085 ' ' THR . . . . . . . . . . . . . 2.3 p -136.84 121.06 17.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 0.741 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -94.4 24.86 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . . . . . . . . . 2.6 m -60.7 125.25 23.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1088 ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' 1088 ' ' LEU . 9.6 mt -156.69 126.47 6.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.611 1.195 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1089 ' ' GLY . . . . . 0.526 ' O ' ' CG ' ' A' 1108 ' ' ASN . . . 161.33 39.44 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.575 1.172 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1090 ' ' TYR . . . . . 1.116 ' CE2' HG22 ' A' 1092 ' ' THR . 0.2 OUTLIER -83.03 142.18 31.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 111.046 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1091 ' ' CYS . . . . . 0.621 ' O ' ' HA ' ' A' 1106 ' ' VAL . 15.5 t -100.85 124.8 47.06 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.502 1.126 . . . . 0.0 108.302 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1092 ' ' THR . . . . . 1.116 HG22 ' CE2' ' A' 1090 ' ' TYR . 2.2 p -92.72 137.59 32.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.431 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1093 ' ' ASP . . . . . 0.502 ' O ' ' CG ' ' A' 1105 ' ' LYS . 9.1 m-20 -163.01 78.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1094 ' ' PHE . . . . . 0.583 ' CB ' ' HA ' ' A' 1104 ' ' CYS . 43.2 p90 -107.92 -167.16 1.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 3.6 tt0 177.22 155.41 0.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -93.41 126.84 38.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.14 125.16 29.69 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 152.35 40.14 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.533 1.807 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 49.01 27.05 6.4 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1100 ' ' CYS . . . . . 0.492 ' O ' ' CG ' ' A' 1153 ' ' TRP . 8.0 m -141.63 -71.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 157.15 -127.44 1.94 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.44 1.087 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1102 ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' 1148 ' ' ILE . 1.2 pt -135.53 135.65 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.566 0.804 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1103 ' ' GLY . . . . . 0.441 ' CA ' HD23 ' A' 1147 ' ' LEU . . . -126.47 132.43 7.75 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.495 1.122 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1104 ' ' CYS . . . . . 0.583 ' HA ' ' CB ' ' A' 1094 ' ' PHE . 3.1 p -121.48 145.23 48.15 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1105 ' ' LYS . . . . . 0.502 ' CG ' ' O ' ' A' 1093 ' ' ASP . 18.7 mtpt -118.73 153.56 34.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1106 ' ' VAL . . . . . 0.621 ' HA ' ' O ' ' A' 1091 ' ' CYS . 0.9 OUTLIER -140.53 135.22 35.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1107 ' ' SER . . . . . 0.577 ' O ' ' CB ' ' A' 1108 ' ' ASN . 0.7 OUTLIER -149.54 134.91 18.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.962 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1108 ' ' ASN . . . . . 0.595 HD22 ' N ' ' A' 1091 ' ' CYS . 2.9 m-20 149.59 -24.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.247 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1109 ' ' VAL . . . . . 0.981 HG11 HG23 ' A' 1059 ' ' VAL . 24.8 m -57.25 -21.69 15.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . 0.402 ' C ' ' CD ' ' A' 1110 ' ' GLU . 5.4 tm-20 -66.19 -45.19 81.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.448 1.093 . . . . 0.0 110.32 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -63.39 122.35 16.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1143 ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.6 129.65 53.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.419 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -106.05 142.49 35.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1145 ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' 1185 ' ' ASP . 26.7 p -116.84 130.4 56.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1146 ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' 1183 ' ' ALA . 43.8 t -123.13 128.88 75.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1147 ' ' LEU . . . . . 0.441 HD23 ' CA ' ' A' 1103 ' ' GLY . 5.6 mt -107.81 122.72 47.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1148 ' ' ILE . . . . . 0.628 HG22 HG22 ' A' 1182 ' ' VAL . 1.2 pt -119.47 157.3 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 158.54 -165.11 33.84 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.601 1.188 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 9.0 m120 -68.53 149.44 49.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 0.726 . . . . 0.0 109.273 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1151 ' ' ARG . . . . . 0.691 ' HG2' HD23 ' A' 1181 ' ' LEU . 68.4 mtt180 -52.8 -34.2 52.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1152 ' ' GLU . . . . . 0.424 ' HB3' ' CA ' ' A' 1167 ' ' ASP . 0.0 OUTLIER -62.44 -38.21 88.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1153 ' ' TRP . . . . . 0.52 ' CE3' ' O ' ' A' 1153 ' ' TRP . 1.2 t-105 -60.23 -53.38 58.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 107.988 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1154 ' ' LEU . . . . . 0.757 ' CD2' HD12 ' A' 1181 ' ' LEU . 6.9 mp -59.51 -41.12 89.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1155 ' ' ARG . . . . . 0.483 ' HG3' ' CB ' ' A' 1166 ' ' SER . 33.7 mmt-85 -58.7 -46.21 87.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.273 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -71.25 -22.86 61.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 46.6 t30 -68.05 -50.34 55.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 169.81 52.84 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.434 1.084 . . . . 0.0 110.953 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1159 ' ' LEU . . . . . 0.438 ' HA ' HD22 ' A' 1159 ' ' LEU . 0.3 OUTLIER -133.31 138.35 46.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.246 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1160 ' ' THR . . . . . 0.63 HG22 ' H ' ' A' 1161 ' ' ILE . 2.7 m -52.81 -170.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.551 1.157 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1161 ' ' ILE . . . . . 0.63 ' H ' HG22 ' A' 1160 ' ' THR . 2.6 mp 66.59 148.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1162 ' ' SER . . . . . 0.416 ' HB3' ' CG2' ' A' 1165 ' ' VAL . 41.6 t -70.07 143.73 52.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.015 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1163 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -35.16 79.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.947 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.82 -38.37 73.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1165 ' ' VAL . . . . . 0.416 ' CG2' ' HB3' ' A' 1162 ' ' SER . 38.4 t -64.21 -50.38 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1166 ' ' SER . . . . . 0.483 ' CB ' ' HG3' ' A' 1155 ' ' ARG . 5.8 t -69.65 -34.42 73.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.026 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1167 ' ' ASP . . . . . 0.424 ' CA ' ' HB3' ' A' 1152 ' ' GLU . 1.2 t70 -64.42 -44.85 89.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.14 84.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1169 ' ' MET . . . . . . . . . . . . . 4.3 ttt -64.88 -49.59 69.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1170 ' ' THR . . . . . . . . . . . . . 8.9 m -63.33 -49.0 75.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 110.371 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1171 ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.1 OUTLIER -60.34 -41.37 93.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 10.6 m170 -55.72 -47.43 76.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.59 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1173 ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' 1177 ' ' GLN . 1.4 tt0 -58.49 -37.6 75.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1174 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -10.34 14.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 3.4 tttt -87.16 8.33 24.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.174 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -155.68 -57.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.402 1.064 . . . . 0.0 111.046 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1177 ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' 1173 ' ' GLU . 7.6 mp0 -125.93 174.9 8.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1178 ' ' THR . . . . . . . . . . . . . 2.3 m -105.16 122.55 46.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -130.0 128.45 42.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1180 ' ' ILE . . . . . 0.55 HD11 HD12 ' A' 1194 ' ' ILE . 0.0 OUTLIER -134.38 145.58 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.242 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1181 ' ' LEU . . . . . 0.757 HD12 ' CD2' ' A' 1154 ' ' LEU . 0.1 OUTLIER -100.43 140.56 34.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1182 ' ' VAL . . . . . 0.628 HG22 HG22 ' A' 1148 ' ' ILE . 48.8 t -119.14 120.99 65.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1183 ' ' ALA . . . . . 0.717 ' HB2' HD21 ' A' 1154 ' ' LEU . . . -120.59 149.13 42.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1184 ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' 1184 ' ' ILE . 1.4 tt -110.09 111.93 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1185 ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' 1145 ' ' SER . 40.7 t0 55.33 40.74 31.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.359 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.93 14.13 78.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1187 ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' 1184 ' ' ILE . 2.4 t -115.11 153.67 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 0.728 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1188 ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' 1045 ' ' LEU . 0.6 OUTLIER -60.37 143.75 52.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1189 ' ' CYS . . . . . 0.555 ' O ' ' N ' ' A' 1046 ' ' GLY . 2.7 t -147.55 -59.68 0.27 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 0.0 108.347 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1190 ' ' GLY . . . . . 0.503 ' HA2' ' HB2' ' A' 1045 ' ' LEU . . . -179.13 -166.84 35.7 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1191 ' ' MET . . . . . 0.692 ' O ' HG23 ' A' 1042 ' ' VAL . 10.2 ptm -151.34 150.69 30.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 111.064 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1192 ' ' ILE . . . . . . . . . . . . . 2.0 mm -107.07 133.83 50.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1193 ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' 1041 ' ' ARG . . . -122.29 120.25 33.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1194 ' ' ILE . . . . . 0.961 HG23 ' O ' ' A' 1038 ' ' ARG . 7.2 mt -119.51 137.65 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1195 ' ' ALA . . . . . 0.672 ' HB2' ' SD ' ' A' 1040 ' ' MET . . . -141.33 114.76 8.84 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.423 1.077 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 7.3 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1033 ' ' GLY . . . . . 0.446 ' O ' ' CD2' ' A' 1034 ' ' HIS . . . -142.51 -177.59 17.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.519 1.137 . . . . 0.0 110.982 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1034 ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' 1033 ' ' GLY . 22.4 m170 -147.06 109.58 4.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.546 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 2.8 ttt -162.3 124.76 2.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 111.014 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1036 ' ' VAL . . . . . 0.476 ' CG2' ' HG3' ' A' 1070 ' ' PRO . 14.2 m -98.64 128.3 33.16 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1037 ' ' PRO . . . . . 0.462 ' HB2' ' CG2' ' A' 1194 ' ' ILE . 18.2 Cg_endo -75.07 -162.76 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.496 1.787 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1038 ' ' ARG . . . . . 0.932 ' O ' HG23 ' A' 1194 ' ' ILE . 5.5 mtp180 -135.88 154.79 51.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1039 ' ' VAL . . . . . 0.526 HG23 ' CD2' ' A' 1069 ' ' HIS . 64.6 t -72.46 136.89 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 109.24 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1040 ' ' MET . . . . . 0.578 ' CG ' ' HB3' ' A' 1195 ' ' ALA . 13.3 tpt -103.99 -44.09 5.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 111.086 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 6.4 ptt180 -169.8 157.09 6.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.413 1.071 . . . . 0.0 110.302 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -117.95 138.98 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.82 149.81 40.2 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 2.8 mt -77.45 136.08 38.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1045 ' ' LEU . . . . . 0.554 ' O ' ' CB ' ' A' 1188 ' ' LEU . 2.1 tp -144.72 22.5 1.61 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.416 1.072 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -119.51 -151.85 8.95 Favored Glycine 0 CA--C 1.528 0.905 0 O-C-N 124.532 1.145 . . . . 0.0 111.012 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 10.1 t0 175.93 162.83 0.34 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 0.742 . . . . 0.0 109.278 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1048 ' ' VAL . . . . . 0.54 HG12 ' O ' ' A' 1048 ' ' VAL . 34.5 t -93.99 24.82 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -94.67 -12.26 27.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1050 ' ' THR . . . . . 0.869 ' O ' HD12 ' A' 1051 ' ' LEU . 18.9 m -118.37 -35.23 3.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.45 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1051 ' ' LEU . . . . . 0.869 HD12 ' O ' ' A' 1050 ' ' THR . 0.1 OUTLIER -173.63 168.31 2.35 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . 0.642 ' HD2' HD23 ' A' 1051 ' ' LEU . 18.3 Cg_endo -75.09 133.13 16.08 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.525 1.803 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1053 ' ' LEU . . . . . 0.574 ' HG ' HD12 ' A' 1057 ' ' LEU . 9.9 tp -68.27 -26.05 65.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -49.05 72.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.63 -48.13 73.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' 1059 ' ' VAL . 3.5 t -58.58 -38.51 71.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.202 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1057 ' ' LEU . . . . . 0.574 HD12 ' HG ' ' A' 1053 ' ' LEU . 12.8 mt -67.53 -34.3 76.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1058 ' ' ALA . . . . . 0.401 ' O ' ' OG1' ' A' 1062 ' ' THR . . . -61.58 -50.55 72.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . 0.859 HG23 ' CD2' ' A' 1090 ' ' TYR . 9.2 p -70.15 -43.65 78.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.224 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1060 ' ' VAL . . . . . 0.525 ' O ' ' CG ' ' A' 1064 ' ' GLU . 3.9 t -57.52 -36.35 53.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1061 ' ' GLY . . . . . 0.411 ' O ' HG21 ' A' 1076 ' ' THR . . . -73.97 -36.64 51.67 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1062 ' ' THR . . . . . 0.931 HG21 ' HB2' ' A' 1090 ' ' TYR . 10.4 m -60.68 -39.96 90.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 0.76 . . . . 0.0 110.44 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1063 ' ' ALA . . . . . . . . . . . . . . . -84.45 -42.25 15.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.559 1.162 . . . . 0.0 109.296 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1064 ' ' GLU . . . . . 0.525 ' CG ' ' O ' ' A' 1060 ' ' VAL . 4.5 mm-40 -54.63 -45.48 73.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.325 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1065 ' ' ALA . . . . . 0.68 ' HB2' HG22 ' A' 1076 ' ' THR . . . -75.56 -22.16 57.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1066 ' ' SER . . . . . 0.601 ' O ' ' CB ' ' A' 1067 ' ' SER . 3.1 t -62.1 -12.78 21.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 110.027 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1067 ' ' SER . . . . . 0.601 ' CB ' ' O ' ' A' 1066 ' ' SER . 3.9 p 94.56 152.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.015 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1068 ' ' GLU . . . . . 0.519 ' CB ' ' O ' ' A' 1067 ' ' SER . 1.0 OUTLIER 159.2 -28.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1069 ' ' HIS . . . . . 0.531 ' CD2' ' HD2' ' A' 1070 ' ' PRO . 11.4 t60 -127.11 140.06 36.81 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.649 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1070 ' ' PRO . . . . . 0.531 ' HD2' ' CD2' ' A' 1069 ' ' HIS . 18.4 Cg_endo -74.9 44.2 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.468 1.773 . . . . 0.0 111.041 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1071 ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' 1075 ' ' VAL . 0.2 OUTLIER 174.11 -37.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.353 -179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -56.9 -38.13 82.55 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.492 1.12 . . . . 0.0 110.957 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1073 ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' 1074 ' ' ALA . 0.3 OUTLIER -62.96 -47.9 90.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 109.301 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1074 ' ' ALA . . . . . 0.466 ' N ' ' CG1' ' A' 1073 ' ' VAL . . . -67.1 -33.0 74.52 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1075 ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' 1071 ' ' LEU . 34.7 t -64.42 -51.46 67.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.213 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1076 ' ' THR . . . . . 0.68 HG22 ' HB2' ' A' 1065 ' ' ALA . 0.8 OUTLIER -65.29 -50.39 65.88 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.49 1.119 . . . . 0.0 110.395 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -37.37 71.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1078 ' ' TYR . . . . . 0.441 ' CB ' ' O ' ' A' 1074 ' ' ALA . 18.9 t80 -66.55 -50.21 63.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 111.048 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1079 ' ' CYS . . . . . 0.833 ' O ' HD12 ' A' 1083 ' ' LEU . 5.0 p -61.29 -34.36 75.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 108.254 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -46.5 88.67 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.402 1.064 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.81 -35.9 81.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 110.336 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.53 -21.49 48.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1083 ' ' LEU . . . . . 0.833 HD12 ' O ' ' A' 1079 ' ' CYS . 1.7 mt -83.95 -23.85 30.92 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 76.18 29.36 58.69 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.53 1.143 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1085 ' ' THR . . . . . . . . . . . . . 1.6 p -136.71 121.33 18.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 110.39 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1086 ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' 1087 ' ' THR . 11.4 pt-20 -93.78 25.73 3.46 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.432 1.082 . . . . 0.0 110.292 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.827 ' O ' HD12 ' A' 1088 ' ' LEU . 5.1 m -36.35 146.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.343 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1088 ' ' LEU . . . . . 0.827 HD12 ' O ' ' A' 1087 ' ' THR . 0.0 OUTLIER 169.08 114.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 171.71 36.4 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1090 ' ' TYR . . . . . 0.931 ' HB2' HG21 ' A' 1062 ' ' THR . 0.1 OUTLIER -115.32 154.25 29.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 0.752 . . . . 0.0 110.987 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1091 ' ' CYS . . . . . 0.612 ' O ' ' HA ' ' A' 1106 ' ' VAL . 53.8 t -109.45 114.25 27.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 108.268 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1092 ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' 1105 ' ' LYS . 0.2 OUTLIER -94.02 165.74 12.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.424 1.077 . . . . 0.0 110.398 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -160.9 81.73 0.64 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 109.367 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1094 ' ' PHE . . . . . 0.487 ' HA ' ' CB ' ' A' 1104 ' ' CYS . 1.5 p90 -73.24 166.76 22.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 111.036 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -178.57 146.7 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 110.245 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -105.72 129.57 53.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 1.4 t -114.74 131.0 23.64 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 149.75 36.88 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.556 1.819 . . . . 0.0 110.983 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 56.31 32.21 60.27 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.423 1.077 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1100 ' ' CYS . . . . . 0.437 ' O ' ' CG ' ' A' 1153 ' ' TRP . 86.2 m -150.59 -68.81 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 150.75 -131.56 3.59 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.579 1.175 . . . . 0.0 111.006 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . 0.494 HD12 ' O ' ' A' 1148 ' ' ILE . 0.5 OUTLIER -116.81 156.44 18.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -157.5 162.49 32.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1104 ' ' CYS . . . . . 0.487 ' CB ' ' HA ' ' A' 1094 ' ' PHE . 31.4 p -163.21 158.26 21.42 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1105 ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' 1092 ' ' THR . 4.4 mtpt -129.37 153.22 48.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.386 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1106 ' ' VAL . . . . . 0.723 HG22 ' CD1' ' A' 1090 ' ' TYR . 6.3 p -144.44 126.73 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.509 1.131 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1107 ' ' SER . . . . . 0.47 ' O ' ' HB2' ' A' 1108 ' ' ASN . 1.5 p -150.67 142.51 23.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 110.026 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1108 ' ' ASN . . . . . 0.55 HD22 ' N ' ' A' 1091 ' ' CYS . 1.0 OUTLIER 162.92 -32.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 109.253 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1109 ' ' VAL . . . . . 0.528 ' CG1' ' OH ' ' A' 1090 ' ' TYR . 5.7 p -45.0 -27.58 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.225 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -70.09 -46.64 64.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.556 1.16 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' 1108 ' ' ASN . . . -61.87 -36.58 93.0 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.442 1.089 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1112 ' ' ILE . . . . . . . . . . . . . 29.1 mm -71.49 -37.62 65.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1113 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.06 -39.16 93.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.199 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1114 ' ' ALA . . . . . . . . . . . . . . . -116.99 106.05 12.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -47.22 171.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.604 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.61 -178.57 4.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.125 . . . . 0.0 109.996 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.85 64.17 1.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 110.261 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 55.18 76.07 0.54 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 72.32 4.68 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -144.07 90.31 2.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.1 170.31 9.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 110.027 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1122 ' ' ALA . . . . . . . . . . . . . . . -139.11 75.15 35.13 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.1 4.19 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.521 1.801 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . -173.1 170.01 4.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1125 ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 67.7 101.34 0.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1126 ' ' HIS . . . . . . . . . . . . . 46.0 m-70 -126.7 -42.81 1.75 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 109.578 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' 1128 ' ' ASN . 0.3 OUTLIER -57.72 -15.96 9.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1128 ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' 1127 ' ' LEU . 39.8 t-20 -38.47 143.97 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.148 . . . . 0.0 109.363 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.37 -59.28 4.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . -146.33 69.95 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . -90.08 -85.91 1.34 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 71.14 96.93 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 0.786 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1133 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.79 135.86 42.45 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1134 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 74.61 3.91 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.487 1.783 . . . . 0.0 111.072 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -125.54 91.73 3.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 109.258 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -164.32 -178.97 5.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.66 121.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.238 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -155.15 122.72 5.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -115.23 91.45 3.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 109.35 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1140 ' ' VAL . . . . . 0.435 ' HA ' ' HD3' ' A' 1141 ' ' PRO . 0.5 OUTLIER -42.5 136.68 2.43 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.355 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1141 ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' 1140 ' ' VAL . 18.0 Cg_endo -75.0 -178.56 4.26 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.456 1.766 . . . . 0.0 110.988 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -72.61 121.43 19.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.087 . . . . 0.0 110.295 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1143 ' ' THR . . . . . 0.465 ' OG1' ' CB ' ' A' 1107 ' ' SER . 1.9 m -120.69 133.66 55.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.457 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -106.69 142.04 36.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 26.0 t -119.17 127.43 53.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.001 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1146 ' ' VAL . . . . . 0.962 HG22 HG13 ' A' 1184 ' ' ILE . 40.4 t -118.11 125.82 74.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 5.2 mt -108.29 138.36 44.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1148 ' ' ILE . . . . . 0.578 ' HB ' HG22 ' A' 1182 ' ' VAL . 0.2 OUTLIER -133.63 154.37 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1149 ' ' GLY . . . . . 0.41 ' N ' HG13 ' A' 1148 ' ' ILE . . . 157.35 -162.13 31.69 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.138 . . . . 0.0 110.958 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 11.0 m120 -68.7 155.6 39.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.25 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1151 ' ' ARG . . . . . 0.823 ' HG2' HD13 ' A' 1181 ' ' LEU . 33.2 mtp180 -59.59 -34.02 72.2 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 110.275 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1152 ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.69 -37.02 84.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1153 ' ' TRP . . . . . 0.437 ' CG ' ' O ' ' A' 1100 ' ' CYS . 2.7 t-105 -60.75 -52.36 65.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1154 ' ' LEU . . . . . 0.825 HD11 ' CB ' ' A' 1183 ' ' ALA . 3.6 mm? -61.78 -41.12 97.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1155 ' ' ARG . . . . . 0.634 ' NH2' HD12 ' A' 1161 ' ' ILE . 0.5 OUTLIER -56.85 -48.79 77.25 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 110.379 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.72 -24.24 62.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 55.1 t30 -64.37 -46.32 83.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 160.38 56.24 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.502 1.126 . . . . 0.0 111.001 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.91 -160.37 0.92 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1160 ' ' THR . . . . . 0.611 HG22 ' H ' ' A' 1161 ' ' ILE . 2.4 m -107.75 -169.62 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.366 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1161 ' ' ILE . . . . . 0.634 HD12 ' NH2' ' A' 1155 ' ' ARG . 26.8 mt 59.17 160.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1162 ' ' SER . . . . . 0.439 ' N ' ' CG2' ' A' 1161 ' ' ILE . 36.4 t -76.76 144.24 39.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.989 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . 0.421 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.3 OUTLIER -65.01 -36.2 83.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.584 1.178 . . . . 0.0 110.042 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 19.7 t0 -71.02 -39.87 72.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 37.2 t -64.36 -50.65 75.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.423 1.077 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1166 ' ' SER . . . . . 0.435 ' OG ' ' NE ' ' A' 1155 ' ' ARG . 6.0 t -68.43 -34.51 76.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.031 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1167 ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' A' 1171 ' ' ASP . 4.0 t70 -64.9 -45.66 84.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1168 ' ' ALA . . . . . 0.576 ' O ' ' CD2' ' A' 1172 ' ' HIS . . . -64.87 -36.16 83.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.093 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -49.97 65.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.045 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1170 ' ' THR . . . . . . . . . . . . . 2.5 m -63.46 -48.75 76.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.42 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1171 ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.1 OUTLIER -61.27 -42.77 99.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.128 . . . . 0.0 109.273 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1172 ' ' HIS . . . . . 0.576 ' CD2' ' O ' ' A' 1168 ' ' ALA . 10.6 m170 -54.44 -46.58 73.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.546 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1173 ' ' GLU . . . . . 0.44 ' HG2' ' CG ' ' A' 1177 ' ' GLN . 0.2 OUTLIER -57.11 -37.38 71.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.69 -10.37 8.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 110.952 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 16.9 tttt -86.3 10.47 14.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -160.87 -56.27 0.02 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.493 1.121 . . . . 0.0 110.981 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1177 ' ' GLN . . . . . 0.44 ' CG ' ' HG2' ' A' 1173 ' ' GLU . 7.4 pt20 -125.51 174.16 8.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 0.772 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1178 ' ' THR . . . . . . . . . . . . . 22.0 m -108.53 119.86 40.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.468 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -112.84 130.15 56.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1180 ' ' ILE . . . . . 0.457 HD11 ' CG2' ' A' 1192 ' ' ILE . 30.8 pt -135.9 129.79 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.165 . . . . 0.0 109.264 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1181 ' ' LEU . . . . . 0.823 HD13 ' HG2' ' A' 1151 ' ' ARG . 1.2 mp -102.42 138.36 39.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.384 1.053 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1182 ' ' VAL . . . . . 0.578 HG22 ' HB ' ' A' 1148 ' ' ILE . 1.0 OUTLIER -119.58 119.52 60.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1183 ' ' ALA . . . . . 0.825 ' CB ' HD11 ' A' 1154 ' ' LEU . . . -118.0 149.75 40.43 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.545 1.153 . . . . 0.0 109.352 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1184 ' ' ILE . . . . . 0.962 HG13 HG22 ' A' 1146 ' ' VAL . 0.7 OUTLIER -108.82 115.41 49.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 3.5 t0 54.44 39.4 31.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.26 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.46 14.79 77.29 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.105 . . . . 0.0 111.044 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1187 ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' 1184 ' ' ILE . 0.3 OUTLIER -113.82 153.74 15.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.347 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1188 ' ' LEU . . . . . 0.554 ' CB ' ' O ' ' A' 1045 ' ' LEU . 0.4 OUTLIER -61.15 142.18 56.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1189 ' ' CYS . . . . . 0.728 ' SG ' HD13 ' A' 1184 ' ' ILE . 5.5 t -145.1 -62.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.562 1.164 . . . . 0.0 108.309 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1190 ' ' GLY . . . . . 0.523 ' HA2' ' N ' ' A' 1045 ' ' LEU . . . 178.44 159.39 22.88 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1191 ' ' MET . . . . . . . . . . . . . 4.5 ptm -123.55 148.88 45.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 0.746 . . . . 0.0 111.025 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1192 ' ' ILE . . . . . 0.457 ' CG2' HD11 ' A' 1180 ' ' ILE . 19.5 mt -108.12 130.86 59.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -111.0 121.84 46.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 109.24 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1194 ' ' ILE . . . . . 0.932 HG23 ' O ' ' A' 1038 ' ' ARG . 2.4 mt -107.58 136.78 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . 0.578 ' HB3' ' CG ' ' A' 1040 ' ' MET . . . -140.64 106.86 5.23 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 5.4 t70 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . 73.33 168.12 13.87 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.594 1.184 . . . . 0.0 110.965 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1034 ' ' HIS . . . . . . . . . . . . . 1.1 t60 -127.66 64.84 1.35 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.488 0.758 . . . . 0.0 109.586 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -162.52 111.8 1.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 110.977 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1036 ' ' VAL . . . . . 0.562 HG13 ' HD2' ' A' 1037 ' ' PRO . 92.9 t -96.7 140.54 22.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1037 ' ' PRO . . . . . 0.562 ' HD2' HG13 ' A' 1036 ' ' VAL . 18.5 Cg_endo -75.0 176.0 10.5 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.578 1.83 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1038 ' ' ARG . . . . . 0.506 ' O ' HG23 ' A' 1194 ' ' ILE . 0.2 OUTLIER -134.86 160.04 39.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 0.0 110.326 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1039 ' ' VAL . . . . . 0.712 ' CG1' HD12 ' A' 1071 ' ' LEU . 12.6 p -74.71 132.19 33.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.148 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1040 ' ' MET . . . . . 0.577 ' CG ' ' HB3' ' A' 1195 ' ' ALA . 0.0 OUTLIER -90.42 -41.8 11.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.975 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1041 ' ' ARG . . . . . 0.48 ' HG3' ' HB3' ' A' 1193 ' ' ALA . 5.3 ptt-85 -168.06 156.08 8.64 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.515 1.135 . . . . 0.0 110.269 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -118.71 138.14 50.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.147 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1043 ' ' LEU . . . . . 0.624 ' HB3' HD21 ' A' 1045 ' ' LEU . 0.0 OUTLIER -106.23 146.97 29.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 1.02 ' C ' HD22 ' A' 1045 ' ' LEU . 3.2 mt -84.66 126.04 33.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1045 ' ' LEU . . . . . 1.02 HD22 ' C ' ' A' 1044 ' ' LEU . 2.6 mm? -141.4 29.86 1.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . 0.618 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -133.32 117.94 2.02 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.526 1.141 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.12 124.62 25.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 0.756 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1048 ' ' VAL . . . . . 0.57 HG11 ' HB2' ' A' 1053 ' ' LEU . 2.4 t -94.24 31.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.566 1.166 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -93.05 -15.76 25.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.346 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1050 ' ' THR . . . . . . . . . . . . . 2.4 m -127.74 -35.9 2.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1051 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.54 144.11 28.87 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 133.48 16.5 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.52 1.8 . . . . 0.0 110.976 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1053 ' ' LEU . . . . . 0.57 ' HB2' HG11 ' A' 1048 ' ' VAL . 17.1 tp -78.21 -34.37 49.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.18 -40.96 90.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 110.357 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1055 ' ' LYS . . . . . 0.622 ' O ' HG23 ' A' 1059 ' ' VAL . 0.1 OUTLIER -70.98 -49.5 44.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.52 ' O ' HG23 ' A' 1060 ' ' VAL . 0.3 OUTLIER -60.27 -37.08 72.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.595 1.184 . . . . 0.0 109.255 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.61 -45.34 90.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.53 86.02 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.432 1.082 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' 1055 ' ' LYS . 92.5 t -59.38 -47.02 92.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1060 ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' 1056 ' ' VAL . 53.7 t -66.64 -35.16 74.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1061 ' ' GLY . . . . . 0.772 ' HA2' HG22 ' A' 1076 ' ' THR . . . -61.52 -46.86 93.46 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.523 1.139 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1062 ' ' THR . . . . . 0.857 HG22 ' HB3' ' A' 1090 ' ' TYR . 86.0 m -74.64 -30.47 61.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 0.763 . . . . 0.0 110.433 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1063 ' ' ALA . . . . . 0.732 ' HB2' ' CE2' ' A' 1090 ' ' TYR . . . -65.01 -55.29 19.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1064 ' ' GLU . . . . . 0.687 ' HB2' HG21 ' A' 1076 ' ' THR . 2.9 mt-10 -63.02 -46.78 85.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1065 ' ' ALA . . . . . 0.621 ' HB2' ' HB ' ' A' 1076 ' ' THR . . . -62.2 -23.21 66.49 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1066 ' ' SER . . . . . . . . . . . . . 8.4 t -105.5 19.01 21.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.039 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1067 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.02 -150.27 0.37 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.475 1.109 . . . . 0.0 110.044 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1068 ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -135.04 26.18 3.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.282 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1069 ' ' HIS . . . . . 0.428 ' HA ' ' HD3' ' A' 1070 ' ' PRO . 1.6 t60 -91.21 130.06 41.3 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.628 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1070 ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' 1069 ' ' HIS . 18.4 Cg_endo -74.97 2.68 6.34 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.564 1.823 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1071 ' ' LEU . . . . . 0.712 HD12 ' CG1' ' A' 1039 ' ' VAL . 0.3 OUTLIER -130.35 -45.49 1.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . 0.42 ' O ' HG12 ' A' 1075 ' ' VAL . . . -60.04 -40.76 97.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1073 ' ' VAL . . . . . 0.487 ' CG2' ' HA ' ' A' 1065 ' ' ALA . 0.3 OUTLIER -72.74 -36.42 52.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 109.335 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -69.02 -36.16 77.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.344 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1075 ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' A' 1076 ' ' THR . 0.4 OUTLIER -67.11 -48.71 78.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1076 ' ' THR . . . . . 0.772 HG22 ' HA2' ' A' 1061 ' ' GLY . 1.2 p -67.14 -48.28 68.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.75 -37.75 71.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 13.4 t80 -64.89 -50.49 66.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 111.016 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1079 ' ' CYS . . . . . 0.722 ' O ' HD12 ' A' 1083 ' ' LEU . 2.1 p -59.4 -35.36 73.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 108.324 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 2.5 mttp -62.59 -43.28 99.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -37.41 86.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.15 . . . . 0.0 110.362 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.85 -20.82 48.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.113 . . . . 0.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1083 ' ' LEU . . . . . 0.722 HD12 ' O ' ' A' 1079 ' ' CYS . 2.4 mt -83.61 -23.82 31.73 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 88.1 14.92 61.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.451 1.095 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1085 ' ' THR . . . . . . . . . . . . . 1.8 p -137.19 120.88 17.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 0.759 . . . . 0.0 110.372 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -100.36 -31.14 11.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 110.297 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 9.6 t -40.38 153.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1088 ' ' LEU . . . . . . . . . . . . . 58.9 mt -115.81 -169.15 1.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1089 ' ' GLY . . . . . 0.534 ' O ' ' CG ' ' A' 1108 ' ' ASN . . . 168.25 38.85 0.02 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.137 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1090 ' ' TYR . . . . . 0.857 ' HB3' HG22 ' A' 1062 ' ' THR . 8.1 t80 -126.39 125.01 41.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 0.752 . . . . 0.0 111.025 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1091 ' ' CYS . . . . . 0.718 ' O ' ' HA ' ' A' 1106 ' ' VAL . 17.6 t -96.38 130.96 43.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 108.271 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1092 ' ' THR . . . . . 0.718 HG22 ' HE1' ' A' 1090 ' ' TYR . 8.7 p -94.23 139.07 31.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -170.77 77.76 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1094 ' ' PHE . . . . . 0.585 ' CB ' ' HA ' ' A' 1104 ' ' CYS . 51.0 p90 -106.86 -167.85 1.33 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 2.5 tt0 178.21 164.07 0.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 0.0 110.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -100.9 132.33 46.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.504 1.127 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 2.3 t -114.89 125.05 29.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 152.56 40.59 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 49.81 26.66 8.4 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1100 ' ' CYS . . . . . 0.563 ' HB3' ' CH2' ' A' 1153 ' ' TRP . 33.3 m -141.93 -74.51 0.3 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 161.47 -125.57 1.46 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.609 1.193 . . . . 0.0 110.97 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 13.0 pt -132.78 135.76 56.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -129.01 127.58 5.59 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1104 ' ' CYS . . . . . 0.585 ' HA ' ' CB ' ' A' 1094 ' ' PHE . 19.9 p -116.58 140.69 49.1 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1105 ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -121.8 153.41 38.36 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1106 ' ' VAL . . . . . 0.856 HG21 ' CD2' ' A' 1090 ' ' TYR . 0.9 OUTLIER -141.84 150.38 19.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1107 ' ' SER . . . . . 0.667 ' O ' ' CB ' ' A' 1108 ' ' ASN . 0.9 OUTLIER -150.86 149.84 30.18 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.003 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1108 ' ' ASN . . . . . 0.667 ' CB ' ' O ' ' A' 1107 ' ' SER . 3.6 t-20 141.33 -57.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1109 ' ' VAL . . . . . 0.502 HG11 HG22 ' A' 1059 ' ' VAL . 5.8 m -51.09 -18.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' 1108 ' ' ASN . 2.6 pt-20 -62.8 -46.72 86.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.322 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -81.13 -36.26 21.8 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.487 1.117 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1112 ' ' ILE . . . . . . . . . . . . . 35.3 mm -63.5 -32.08 55.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.542 0.789 . . . . 0.0 109.233 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1113 ' ' LEU . . . . . 0.5 ' C ' HD12 ' A' 1113 ' ' LEU . 0.6 OUTLIER -87.67 -38.73 15.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 109.267 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1114 ' ' ALA . . . . . . . . . . . . . . . -93.48 -158.87 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 65.29 121.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.6 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 22.0 t -156.89 134.16 10.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.955 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 4.9 tt0 56.84 74.89 0.39 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -65.9 146.46 99.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 110.234 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 155.49 42.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.72 -74.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.18 64.29 1.91 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.988 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1122 ' ' ALA . . . . . . . . . . . . . . . -123.78 154.05 67.06 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 114.74 4.1 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.443 1.759 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1124 ' ' ALA . . . . . 0.408 ' O ' ' CB ' ' A' 1125 ' ' SER . . . -150.87 -173.8 4.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.249 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1125 ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' 1126 ' ' HIS . 0.4 OUTLIER 78.19 -63.47 0.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.048 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1126 ' ' HIS . . . . . 0.41 ' CB ' ' O ' ' A' 1125 ' ' SER . 0.1 OUTLIER 81.54 -48.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 109.639 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' 1128 ' ' ASN . 0.6 OUTLIER -57.48 -14.75 5.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1128 ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' 1127 ' ' LEU . 10.6 t-20 -35.55 107.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.303 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.21 94.03 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . 56.48 -177.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . -155.13 60.46 0.38 Allowed Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.569 1.168 . . . . 0.0 111.021 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 3.0 m -111.66 79.8 1.25 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 0.776 . . . . 0.0 110.054 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1133 ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' A' 1134 ' ' PRO . 0.5 OUTLIER -121.96 139.24 29.95 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.404 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1134 ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' 1133 ' ' LEU . 18.5 Cg_endo -74.97 172.91 15.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.51 1.795 . . . . 0.0 110.999 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -54.8 156.67 3.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.421 1.075 . . . . 0.0 109.253 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -136.57 -51.69 0.69 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.538 1.149 . . . . 0.0 110.269 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 64.57 159.11 0.1 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.538 1.149 . . . . 0.0 109.238 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -160.52 138.23 9.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.357 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' 1140 ' ' VAL . . . 63.97 81.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.22 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1140 ' ' VAL . . . . . 0.419 ' C ' ' O ' ' A' 1139 ' ' ALA . 0.2 OUTLIER -38.96 136.69 0.95 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.382 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1141 ' ' PRO . . . . . 0.403 ' HD2' HG23 ' A' 1140 ' ' VAL . 18.7 Cg_endo -74.9 161.93 38.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.782 . . . . 0.0 111.079 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1142 ' ' GLN . . . . . 0.426 ' O ' ' CD ' ' A' 1110 ' ' GLU . 2.3 tt0 -112.95 111.95 23.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.223 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1143 ' ' THR . . . . . . . . . . . . . 10.3 t -106.36 136.14 46.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.375 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -104.57 134.46 47.71 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 59.8 p -119.53 131.5 55.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.993 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1146 ' ' VAL . . . . . 0.91 HG13 ' O ' ' A' 1183 ' ' ALA . 80.5 t -117.67 138.78 47.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1147 ' ' LEU . . . . . 0.531 HD22 ' HZ2' ' A' 1153 ' ' TRP . 3.5 mt -107.06 121.53 44.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1148 ' ' ILE . . . . . 0.844 ' HB ' HG23 ' A' 1182 ' ' VAL . 0.2 OUTLIER -119.12 153.34 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.175 . . . . 0.0 109.232 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1149 ' ' GLY . . . . . 0.479 ' H ' HD12 ' A' 1148 ' ' ILE . . . 159.98 -172.72 36.54 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 5.2 m120 -69.16 174.08 4.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1151 ' ' ARG . . . . . . . . . . . . . 18.7 ttm-85 -63.12 -29.08 70.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1152 ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.08 -44.81 87.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.351 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1153 ' ' TRP . . . . . 0.563 ' CH2' ' HB3' ' A' 1100 ' ' CYS . 18.6 t-105 -61.89 -45.9 91.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 108.005 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1154 ' ' LEU . . . . . 0.795 HD11 ' HB2' ' A' 1183 ' ' ALA . 2.2 mm? -62.56 -36.78 83.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.43 1.081 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1155 ' ' ARG . . . . . 0.541 HH12 ' N ' ' A' 1163 ' ' SER . 3.4 mmm-85 -58.0 -49.85 75.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.5 -25.92 63.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.35 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -63.53 -43.3 97.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 153.73 55.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.561 1.163 . . . . 0.0 110.967 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.481 ' O ' ' NE ' ' A' 1155 ' ' ARG . 0.2 OUTLIER -125.0 133.71 52.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1160 ' ' THR . . . . . 0.618 HG22 ' H ' ' A' 1161 ' ' ILE . 2.2 m -69.98 -165.52 0.09 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1161 ' ' ILE . . . . . 0.618 ' H ' HG22 ' A' 1160 ' ' THR . 0.1 OUTLIER 78.8 160.54 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 109.29 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1162 ' ' SER . . . . . . . . . . . . . 41.0 t -69.78 143.91 52.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . 0.541 ' N ' HH12 ' A' 1155 ' ' ARG . 0.2 OUTLIER -66.53 -34.07 77.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.95 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1164 ' ' ASP . . . . . 0.481 ' O ' ' CB ' ' A' 1168 ' ' ALA . 24.0 t0 -70.87 -35.19 72.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.393 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 56.0 t -71.84 -49.7 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1166 ' ' SER . . . . . . . . . . . . . 6.4 t -65.29 -46.08 81.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1167 ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' 1163 ' ' SER . 21.1 t70 -63.11 -44.09 96.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1168 ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' 1164 ' ' ASP . . . -62.96 -37.12 85.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.438 1.086 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 3.9 mtt -66.71 -48.82 68.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 110.943 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1170 ' ' THR . . . . . 0.435 ' CG2' ' N ' ' A' 1171 ' ' ASP . 0.7 OUTLIER -63.22 -47.78 81.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.36 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1171 ' ' ASP . . . . . 0.435 ' N ' ' CG2' ' A' 1170 ' ' THR . 0.1 OUTLIER -63.65 -39.45 94.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -56.15 -47.59 77.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.593 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1173 ' ' GLU . . . . . 0.456 ' HG2' ' HB2' ' A' 1179 ' ' ALA . 1.4 tp10 -59.5 -45.48 91.59 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.34 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.45 -10.46 17.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -87.19 10.9 15.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -158.43 -57.27 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1177 ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' 1173 ' ' GLU . 38.8 mt-30 -126.56 174.14 8.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.761 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1178 ' ' THR . . . . . . . . . . . . . 1.1 p -99.95 119.86 38.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.398 1.061 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1179 ' ' ALA . . . . . 0.456 ' HB2' ' HG2' ' A' 1173 ' ' GLU . . . -117.37 127.77 54.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1180 ' ' ILE . . . . . 0.823 ' HB ' HD11 ' A' 1148 ' ' ILE . 25.2 pt -131.42 130.39 62.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.15 . . . . 0.0 109.264 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1181 ' ' LEU . . . . . 0.702 ' O ' HD12 ' A' 1148 ' ' ILE . 4.7 mp -105.41 136.6 44.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1182 ' ' VAL . . . . . 0.844 HG23 ' HB ' ' A' 1148 ' ' ILE . 0.4 OUTLIER -119.7 130.94 73.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1183 ' ' ALA . . . . . 0.91 ' O ' HG13 ' A' 1146 ' ' VAL . . . -122.27 147.66 45.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1184 ' ' ILE . . . . . 0.89 ' O ' HG12 ' A' 1187 ' ' VAL . 0.2 OUTLIER -109.7 126.18 66.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1185 ' ' ASP . . . . . 0.602 ' N ' HD13 ' A' 1184 ' ' ILE . 3.3 t70 56.72 34.85 25.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.272 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.76 16.24 77.98 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1187 ' ' VAL . . . . . 0.89 HG12 ' O ' ' A' 1184 ' ' ILE . 0.3 OUTLIER -119.49 155.75 22.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.403 0.708 . . . . 0.0 109.288 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1188 ' ' LEU . . . . . 0.709 HD22 ' HB3' ' A' 1045 ' ' LEU . 0.9 OUTLIER -60.16 147.96 37.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.252 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1189 ' ' CYS . . . . . 0.618 ' O ' ' N ' ' A' 1046 ' ' GLY . 9.1 t -146.39 -59.98 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.17 . . . . 0.0 108.269 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1190 ' ' GLY . . . . . 0.588 ' O ' HG12 ' A' 1182 ' ' VAL . . . 179.87 157.91 20.95 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1191 ' ' MET . . . . . 0.566 ' H ' HD23 ' A' 1045 ' ' LEU . 0.0 OUTLIER -122.74 147.84 46.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.949 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1192 ' ' ILE . . . . . 0.618 HG23 HG23 ' A' 1039 ' ' VAL . 2.3 mt -109.56 134.87 50.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1193 ' ' ALA . . . . . 0.48 ' HB3' ' HG3' ' A' 1041 ' ' ARG . . . -115.19 125.83 53.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1194 ' ' ILE . . . . . 0.506 HG23 ' O ' ' A' 1038 ' ' ARG . 4.8 mt -110.84 138.81 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . 0.689 ' O ' ' OXT' ' A' 1196 ' ' ASP . . . -135.61 102.72 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1196 ' ' ASP . . . . . 0.689 ' OXT' ' O ' ' A' 1195 ' ' ALA . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . 112.01 164.14 17.16 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.142 . . . . 0.0 111.025 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1034 ' ' HIS . . . . . . . . . . . . . 1.8 t60 -123.42 72.59 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.59 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 3.4 mtt 174.91 123.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1036 ' ' VAL . . . . . 0.438 HG21 ' HE1' ' A' 1069 ' ' HIS . 0.3 OUTLIER -125.68 136.95 29.07 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1037 ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' 1036 ' ' VAL . 18.2 Cg_endo -75.04 -176.45 2.89 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.478 1.778 . . . . 0.0 111.018 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1038 ' ' ARG . . . . . 0.91 ' O ' HG23 ' A' 1194 ' ' ILE . 0.3 OUTLIER -105.02 165.37 11.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.461 1.1 . . . . 0.0 110.288 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1039 ' ' VAL . . . . . 0.501 HG11 HG13 ' A' 1075 ' ' VAL . 1.0 OUTLIER -67.28 128.02 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1040 ' ' MET . . . . . 0.556 ' HB2' ' HB3' ' A' 1195 ' ' ALA . 10.8 tpt -95.7 -42.66 8.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.36 156.42 8.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 1.1 p -122.97 137.48 56.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.0 136.35 41.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.604 1.19 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.514 ' O ' HD23 ' A' 1045 ' ' LEU . 2.6 mt -81.5 124.68 29.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1045 ' ' LEU . . . . . 0.687 ' O ' HD12 ' A' 1188 ' ' LEU . 13.4 mt -136.89 23.32 3.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -125.78 115.88 2.47 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.84 138.81 56.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 0.738 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1048 ' ' VAL . . . . . 0.7 HG11 ' CB ' ' A' 1053 ' ' LEU . 2.1 t -116.37 31.7 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -92.33 -15.35 27.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1050 ' ' THR . . . . . . . . . . . . . 2.1 m -128.14 -36.11 1.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.411 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1051 ' ' LEU . . . . . 0.402 ' HA ' ' HD3' ' A' 1052 ' ' PRO . 26.8 mt -107.14 148.62 37.38 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 109.26 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . 0.549 ' O ' HG23 ' A' 1056 ' ' VAL . 18.2 Cg_endo -75.05 133.79 16.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.811 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1053 ' ' LEU . . . . . 0.7 ' CB ' HG11 ' A' 1048 ' ' VAL . 0.7 OUTLIER -76.11 -38.24 57.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 -63.6 -47.66 80.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.339 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -41.54 87.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.602 1.189 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' 1052 ' ' PRO . 3.8 t -60.04 -46.51 94.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 109.382 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1057 ' ' LEU . . . . . 0.509 ' HA ' HG12 ' A' 1060 ' ' VAL . 1.2 mp -65.67 -32.63 74.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -62.87 -48.25 79.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . 0.795 HG23 ' CD1' ' A' 1090 ' ' TYR . 8.8 p -70.34 -47.26 67.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.429 1.081 . . . . 0.0 109.325 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1060 ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' 1057 ' ' LEU . 0.3 OUTLIER -58.59 -34.06 50.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1061 ' ' GLY . . . . . 0.476 ' HA2' ' CG2' ' A' 1076 ' ' THR . . . -74.01 -36.44 51.84 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.444 1.09 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1062 ' ' THR . . . . . 0.764 HG21 ' HB2' ' A' 1090 ' ' TYR . 25.8 m -65.29 -35.74 81.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 0.0 110.405 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1063 ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' 1067 ' ' SER . . . -84.0 -51.0 7.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1064 ' ' GLU . . . . . 0.543 ' HB2' HG21 ' A' 1076 ' ' THR . 10.9 mt-10 -55.06 -40.86 70.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.35 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1065 ' ' ALA . . . . . 0.886 ' O ' HG13 ' A' 1073 ' ' VAL . . . -74.96 -23.21 58.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.379 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1066 ' ' SER . . . . . 0.526 ' O ' ' CZ ' ' A' 1094 ' ' PHE . 40.1 t -109.03 24.02 13.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.942 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1067 ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' 1068 ' ' GLU . 3.5 m -56.63 -27.25 57.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 110.014 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1068 ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' 1067 ' ' SER . 0.2 OUTLIER 86.3 -0.06 0.64 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 110.262 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1069 ' ' HIS . . . . . 0.438 ' HE1' HG21 ' A' 1036 ' ' VAL . 2.7 t-80 -93.06 137.16 23.85 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.633 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1070 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 55.27 3.85 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.517 1.798 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1071 ' ' LEU . . . . . 0.773 HD21 ' HA ' ' A' 1038 ' ' ARG . 1.4 tt -176.46 -57.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.251 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -58.18 -36.75 83.85 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.429 1.081 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1073 ' ' VAL . . . . . 0.886 HG13 ' O ' ' A' 1065 ' ' ALA . 58.0 t -63.85 -42.77 96.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -66.95 -34.18 77.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.258 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1075 ' ' VAL . . . . . 0.501 HG13 HG11 ' A' 1039 ' ' VAL . 16.3 t -62.01 -48.31 89.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1076 ' ' THR . . . . . 0.543 HG21 ' HB2' ' A' 1064 ' ' GLU . 0.6 OUTLIER -66.36 -43.42 86.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 110.416 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' 1078 ' ' TYR . 0.0 OUTLIER -59.49 -36.11 75.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1078 ' ' TYR . . . . . 0.42 ' N ' ' HG3' ' A' 1077 ' ' LYS . 52.3 t80 -66.71 -52.28 46.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -34.07 76.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 108.315 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1080 ' ' LYS . . . . . 0.485 ' CD ' ' O ' ' A' 1085 ' ' THR . 0.1 OUTLIER -62.29 -47.22 85.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -63.33 -36.46 83.77 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.6 -21.0 56.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.239 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 9.3 mt -83.52 -24.77 31.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 97.86 20.23 22.04 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1085 ' ' THR . . . . . 0.485 ' O ' ' CD ' ' A' 1080 ' ' LYS . 0.2 OUTLIER -136.78 122.14 19.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 0.799 . . . . 0.0 110.337 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.61 25.78 9.54 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 110.264 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 92.9 m -139.92 140.75 36.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.435 1.084 . . . . 0.0 110.423 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1088 ' ' LEU . . . . . 0.624 ' CB ' HG23 ' A' 1062 ' ' THR . 0.1 OUTLIER -112.28 -162.8 0.81 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.452 1.095 . . . . 0.0 109.215 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 173.46 36.02 0.04 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.449 1.093 . . . . 0.0 110.925 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1090 ' ' TYR . . . . . 0.795 ' CD1' HG23 ' A' 1059 ' ' VAL . 0.2 OUTLIER -123.49 148.93 45.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.994 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1091 ' ' CYS . . . . . 0.671 ' O ' ' HA ' ' A' 1106 ' ' VAL . 2.2 t -95.62 113.64 25.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 108.285 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1092 ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' 1105 ' ' LYS . 4.7 p -93.2 155.56 17.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.419 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1093 ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' 1104 ' ' CYS . 5.0 m-20 -153.63 77.15 1.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1094 ' ' PHE . . . . . 0.526 ' CZ ' ' O ' ' A' 1066 ' ' SER . 13.5 m-85 -73.05 151.8 41.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -162.29 128.88 3.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.157 . . . . 0.0 110.235 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -90.13 126.78 35.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.376 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1097 ' ' VAL . . . . . 0.408 HG23 ' H ' ' A' 1101 ' ' GLY . 0.9 OUTLIER -114.2 124.01 31.58 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 144.96 30.76 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.491 1.785 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 66.61 14.81 63.19 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1100 ' ' CYS . . . . . . . . . . . . . 11.9 t -135.08 -75.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.333 -0.988 . . . . 0.0 108.333 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1101 ' ' GLY . . . . . 0.408 ' H ' HG23 ' A' 1097 ' ' VAL . . . 162.05 -127.61 1.75 Allowed Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.462 1.101 . . . . 0.0 111.041 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . 0.69 HD12 HD12 ' A' 1148 ' ' ILE . 23.2 pt -129.35 142.49 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -151.16 140.72 8.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.463 1.102 . . . . 0.0 110.903 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1104 ' ' CYS . . . . . 0.51 ' SG ' ' CG1' ' A' 1146 ' ' VAL . 18.9 p -136.63 161.13 36.76 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1105 ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' 1092 ' ' THR . 3.3 mptt -119.1 154.25 33.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1106 ' ' VAL . . . . . 0.671 ' HA ' ' O ' ' A' 1091 ' ' CYS . 0.3 OUTLIER -143.26 124.91 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1107 ' ' SER . . . . . 0.491 ' O ' ' HB2' ' A' 1108 ' ' ASN . 59.1 p -152.05 136.6 16.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1108 ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' A' 1107 ' ' SER . 2.4 t-20 170.47 -40.24 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1109 ' ' VAL . . . . . . . . . . . . . 6.7 p -51.61 -21.17 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 33.6 tp10 -65.55 -46.17 80.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -80.01 -27.08 54.21 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1112 ' ' ILE . . . . . . . . . . . . . 36.9 mm -70.87 -40.4 76.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.49 0.759 . . . . 0.0 109.351 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1113 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -37.52 36.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.362 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1114 ' ' ALA . . . . . . . . . . . . . . . -115.88 114.71 25.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.264 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 2.4 t60 -122.02 88.17 2.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 109.549 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 78.8 p -63.89 122.76 17.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.043 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 2.6 tt0 178.86 84.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.422 1.076 . . . . 0.0 110.312 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1118 ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' A' 1119 ' ' PRO . 0.0 OUTLIER -54.39 137.02 60.67 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.407 1.067 . . . . 0.0 110.254 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1119 ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' 1118 ' ' ARG . 18.2 Cg_endo -75.04 132.13 15.03 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.814 . . . . 0.0 110.951 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 74.0 122.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.108 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1121 ' ' SER . . . . . 0.616 ' O ' ' HB2' ' A' 1122 ' ' ALA . 31.9 p -173.23 76.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.607 1.192 . . . . 0.0 109.998 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1122 ' ' ALA . . . . . 0.828 ' HB3' ' HD3' ' A' 1123 ' ' PRO . . . 168.74 -54.6 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.17 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1123 ' ' PRO . . . . . 0.828 ' HD3' ' HB3' ' A' 1122 ' ' ALA . 18.2 Cg_endo -75.08 122.78 7.38 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.525 1.803 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . 48.64 -175.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1125 ' ' SER . . . . . . . . . . . . . 6.1 m 61.15 78.66 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.022 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1126 ' ' HIS . . . . . . . . . . . . . 33.9 m-70 60.81 57.83 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.604 1.19 . . . . 0.0 109.569 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.0 tp -58.68 -16.83 18.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1128 ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -49.52 157.47 0.52 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -76.8 156.12 32.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . 58.02 174.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.305 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . -156.55 -120.35 0.65 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 27.2 p -129.01 135.62 49.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 0.736 . . . . 0.0 110.055 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1133 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.11 148.83 78.89 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.346 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1134 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 166.46 29.17 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.507 1.793 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -79.11 136.93 37.29 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.429 1.081 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -39.37 -60.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.271 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.95 149.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.39 135.38 8.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' 1140 ' ' VAL . . . -56.62 98.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1140 ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' 1139 ' ' ALA . 0.2 OUTLIER -39.95 135.64 1.31 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 153.97 42.37 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.458 1.768 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -85.69 115.86 23.61 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.0 110.336 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1143 ' ' THR . . . . . . . . . . . . . 1.9 m -121.47 135.17 55.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.461 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -104.97 142.04 35.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.085 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 12.4 t -107.74 130.95 54.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1146 ' ' VAL . . . . . 0.51 ' CG1' ' SG ' ' A' 1104 ' ' CYS . 3.8 t -109.55 138.46 36.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1147 ' ' LEU . . . . . 0.478 HD23 ' CZ2' ' A' 1153 ' ' TRP . 0.2 OUTLIER -128.07 139.1 52.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1148 ' ' ILE . . . . . 0.954 HG23 HG13 ' A' 1182 ' ' VAL . 0.2 OUTLIER -143.34 142.96 25.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1149 ' ' GLY . . . . . 0.58 ' CA ' ' CE3' ' A' 1153 ' ' TRP . . . 161.81 -171.27 37.71 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1150 ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' 1153 ' ' TRP . 10.0 m120 -75.61 153.86 37.03 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 0.768 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1151 ' ' ARG . . . . . 0.792 ' HD2' HG22 ' A' 1170 ' ' THR . 51.1 mtt180 -46.36 -34.96 4.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.296 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1152 ' ' GLU . . . . . 0.466 ' HB3' ' CA ' ' A' 1167 ' ' ASP . 3.0 pp20? -70.05 -34.56 73.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.356 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1153 ' ' TRP . . . . . 1.069 ' CH2' HD23 ' A' 1154 ' ' LEU . 0.0 OUTLIER -62.52 -52.78 62.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 108.037 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1154 ' ' LEU . . . . . 1.069 HD23 ' CH2' ' A' 1153 ' ' TRP . 0.2 OUTLIER -64.36 -41.49 96.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1155 ' ' ARG . . . . . 0.457 ' HA ' ' CB ' ' A' 1159 ' ' LEU . 2.2 mpt_? -57.48 -46.43 83.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -69.48 -25.85 64.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 110.306 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 20.3 t30 -65.37 -59.13 4.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.352 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . -175.42 58.21 0.11 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.133 . . . . 0.0 110.969 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.53 HD13 HD12 ' A' 1154 ' ' LEU . 0.1 OUTLIER -144.25 141.8 30.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 0.763 . . . . 0.0 109.297 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1160 ' ' THR . . . . . 0.653 HG22 ' H ' ' A' 1161 ' ' ILE . 2.8 m -55.57 -164.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.384 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1161 ' ' ILE . . . . . 0.653 ' H ' HG22 ' A' 1160 ' ' THR . 1.3 mp 63.5 152.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1162 ' ' SER . . . . . . . . . . . . . 40.3 t -76.28 142.25 41.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.411 1.07 . . . . 0.0 109.993 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . 0.485 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.5 OUTLIER -67.58 -34.1 76.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 25.5 t0 -71.43 -40.07 70.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 32.3 t -64.02 -50.98 74.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1166 ' ' SER . . . . . 0.983 ' O ' HG23 ' A' 1170 ' ' THR . 3.5 t -69.37 -33.08 72.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.005 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1167 ' ' ASP . . . . . 0.485 ' CB ' ' O ' ' A' 1163 ' ' SER . 0.1 OUTLIER -66.88 -42.71 85.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.25 96.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -48.76 75.74 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.149 . . . . 0.0 110.929 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1170 ' ' THR . . . . . 0.983 HG23 ' O ' ' A' 1166 ' ' SER . 72.0 p -63.74 -50.69 68.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.365 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1171 ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.3 OUTLIER -57.34 -37.73 73.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.319 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 2.4 m170 -59.44 -47.65 84.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.603 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1173 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.32 -36.34 79.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 2.3 ttt -62.92 -10.74 14.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 2.5 mttp -87.12 10.09 17.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -155.4 -56.2 0.01 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1177 ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -127.21 169.72 13.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 110.278 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1178 ' ' THR . . . . . . . . . . . . . 2.0 m -103.34 128.01 50.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 110.45 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -131.58 128.57 39.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1180 ' ' ILE . . . . . 0.513 HD11 ' HB ' ' A' 1192 ' ' ILE . 8.6 pt -132.56 133.57 59.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1181 ' ' LEU . . . . . 0.462 HD23 ' HG ' ' A' 1154 ' ' LEU . 0.7 OUTLIER -101.77 136.34 41.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1182 ' ' VAL . . . . . 0.954 HG13 HG23 ' A' 1148 ' ' ILE . 1.6 t -122.11 120.92 62.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1183 ' ' ALA . . . . . 0.567 ' HB3' HD21 ' A' 1154 ' ' LEU . . . -118.61 149.55 41.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1184 ' ' ILE . . . . . . . . . . . . . 81.6 mt -109.29 112.82 42.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 32.0 t70 54.6 41.49 31.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 71.67 14.8 75.38 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.51 1.131 . . . . 0.0 111.03 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1187 ' ' VAL . . . . . . . . . . . . . 2.6 t -114.46 154.18 15.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 109.272 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1188 ' ' LEU . . . . . 0.687 HD12 ' O ' ' A' 1045 ' ' LEU . 0.6 OUTLIER -59.49 142.91 51.47 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1189 ' ' CYS . . . . . 0.574 ' O ' ' N ' ' A' 1046 ' ' GLY . 1.7 t -144.35 -56.06 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 108.326 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1190 ' ' GLY . . . . . 0.479 ' HA2' ' CB ' ' A' 1045 ' ' LEU . . . 162.72 157.44 9.05 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.454 1.096 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1191 ' ' MET . . . . . 0.485 ' HB3' ' CD1' ' A' 1045 ' ' LEU . 22.3 ptm -119.71 149.13 42.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 0.794 . . . . 0.0 110.978 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1192 ' ' ILE . . . . . 0.513 ' HB ' HD11 ' A' 1180 ' ' ILE . 1.1 mp -108.1 130.38 60.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -115.39 123.16 47.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1194 ' ' ILE . . . . . 0.91 HG23 ' O ' ' A' 1038 ' ' ARG . 4.6 mt -110.62 133.0 57.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.456 1.098 . . . . 0.0 109.242 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . 0.612 ' O ' ' OXT' ' A' 1196 ' ' ASP . . . -140.0 109.54 6.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1196 ' ' ASP . . . . . 0.612 ' OXT' ' O ' ' A' 1195 ' ' ALA . 20.0 t70 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . 176.12 106.51 0.2 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 111.049 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1034 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 53.73 98.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.796 . . . . 0.0 109.579 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 174.8 104.12 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1036 ' ' VAL . . . . . 0.407 HG21 ' HE1' ' A' 1069 ' ' HIS . 31.6 m -94.56 123.96 56.63 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1037 ' ' PRO . . . . . 0.51 ' O ' ' CD2' ' A' 1071 ' ' LEU . 18.3 Cg_endo -74.96 -171.89 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.434 1.755 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1038 ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.38 164.1 15.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.427 1.08 . . . . 0.0 110.277 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1039 ' ' VAL . . . . . 0.765 HG11 HG13 ' A' 1075 ' ' VAL . 5.2 p -66.29 134.9 29.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1040 ' ' MET . . . . . . . . . . . . . 1.4 tmt? -105.85 -42.48 5.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -167.99 156.6 9.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.347 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 2.6 t -117.04 137.66 50.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.06 140.84 36.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.492 HD11 ' O ' ' A' 1046 ' ' GLY . 1.9 tp -78.76 126.09 30.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1045 ' ' LEU . . . . . 0.768 ' CD2' HD21 ' A' 1181 ' ' LEU . 0.6 OUTLIER -137.56 23.79 2.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -141.79 122.52 2.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 4.0 t0 -105.25 173.79 6.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 0.769 . . . . 0.0 109.375 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1048 ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' A' 1051 ' ' LEU . 2.4 t -96.06 30.85 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -93.81 -15.34 25.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.078 . . . . 0.0 109.281 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1050 ' ' THR . . . . . 0.615 HG21 HG21 ' A' 1187 ' ' VAL . 27.5 m -131.5 -37.3 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.394 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1051 ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' 1051 ' ' LEU . 17.5 mt -155.42 155.08 29.42 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . 0.413 ' HA ' HG13 ' A' 1048 ' ' VAL . 18.4 Cg_endo -75.03 134.56 17.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1053 ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' 1057 ' ' LEU . 5.9 tp -72.56 -25.82 61.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.318 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 5.6 mmt-85 -65.35 -50.56 65.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1055 ' ' LYS . . . . . 0.413 ' CG ' ' HG2' ' A' 1052 ' ' PRO . 41.3 mmtt -69.69 -36.97 76.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.457 ' CG1' ' SG ' ' A' 1189 ' ' CYS . 2.4 t -63.1 -43.81 99.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1057 ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' 1053 ' ' LEU . 0.9 OUTLIER -64.9 -35.81 82.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.445 1.09 . . . . 0.0 109.242 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -62.04 -45.59 92.89 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.475 1.109 . . . . 0.0 109.355 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . 0.942 HG22 ' CG1' ' A' 1106 ' ' VAL . 0.4 OUTLIER -69.53 -48.5 65.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.237 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1060 ' ' VAL . . . . . 0.517 ' O ' ' CG ' ' A' 1064 ' ' GLU . 0.4 OUTLIER -57.77 -35.6 51.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.096 . . . . 0.0 109.296 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1061 ' ' GLY . . . . . . . . . . . . . . . -73.41 -33.51 58.6 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1062 ' ' THR . . . . . 0.677 HG21 ' CG ' ' A' 1090 ' ' TYR . 0.5 OUTLIER -64.68 -41.08 96.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.586 0.815 . . . . 0.0 110.419 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1063 ' ' ALA . . . . . 0.685 ' HB2' HG21 ' A' 1106 ' ' VAL . . . -84.25 -38.7 20.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1064 ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' 1060 ' ' VAL . 5.5 mm-40 -54.74 -37.74 66.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1065 ' ' ALA . . . . . 0.801 ' O ' HG22 ' A' 1073 ' ' VAL . . . -71.61 -23.9 61.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.334 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1066 ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' 1067 ' ' SER . 1.1 t -101.37 -1.68 32.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1067 ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' 1063 ' ' ALA . 9.0 p -35.06 118.24 0.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1068 ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' 1067 ' ' SER . 0.6 OUTLIER -35.37 -34.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.284 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1069 ' ' HIS . . . . . 0.516 ' CD2' ' HD2' ' A' 1070 ' ' PRO . 0.9 OUTLIER -84.01 139.38 39.78 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.568 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1070 ' ' PRO . . . . . 0.516 ' HD2' ' CD2' ' A' 1069 ' ' HIS . 18.3 Cg_endo -75.03 -0.05 9.51 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.399 1.737 . . . . 0.0 111.001 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1071 ' ' LEU . . . . . 0.637 ' O ' HG23 ' A' 1075 ' ' VAL . 1.9 mp -90.31 -56.29 3.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.376 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -59.11 -28.69 64.33 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.514 1.134 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1073 ' ' VAL . . . . . 0.801 HG22 ' O ' ' A' 1065 ' ' ALA . 11.0 t -63.07 -51.33 73.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.499 0.764 . . . . 0.0 109.261 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.0 72.49 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1075 ' ' VAL . . . . . 0.765 HG13 HG11 ' A' 1039 ' ' VAL . 48.9 t -59.05 -52.09 64.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.289 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1076 ' ' THR . . . . . 0.795 ' CG2' ' HB2' ' A' 1065 ' ' ALA . 0.4 OUTLIER -66.15 -40.11 90.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.423 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 4.8 tttp -57.47 -41.95 81.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -66.57 -45.75 78.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1079 ' ' CYS . . . . . 0.543 ' O ' HD12 ' A' 1083 ' ' LEU . 0.0 OUTLIER -63.42 -34.66 78.24 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.522 1.139 . . . . 0.0 108.351 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1080 ' ' LYS . . . . . 0.433 ' NZ ' ' HG2' ' A' 1086 ' ' GLU . 2.5 pttt -66.98 -38.72 86.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.079 . . . . 0.0 109.248 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -63.25 -43.67 97.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -78.53 -20.53 50.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.576 1.172 . . . . 0.0 110.294 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1083 ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' 1079 ' ' CYS . 6.2 mt -83.17 -23.3 32.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.385 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 76.01 35.74 43.33 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.515 1.134 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1085 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.74 122.14 19.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 0.74 . . . . 0.0 110.367 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1086 ' ' GLU . . . . . 0.433 ' HG2' ' NZ ' ' A' 1080 ' ' LYS . 3.4 tt0 -103.51 24.05 11.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 1.3 t -49.82 139.06 13.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 110.389 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1088 ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' 1088 ' ' LEU . 6.7 tp -176.37 115.8 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 155.66 37.96 0.02 OUTLIER Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1090 ' ' TYR . . . . . 0.677 ' CG ' HG21 ' A' 1062 ' ' THR . 11.6 m-85 -101.61 159.59 15.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 0.774 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1091 ' ' CYS . . . . . 0.651 ' O ' ' HA ' ' A' 1106 ' ' VAL . 0.5 OUTLIER -99.21 112.26 24.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.174 . . . . 0.0 108.265 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1092 ' ' THR . . . . . 0.476 HG22 HG22 ' A' 1106 ' ' VAL . 44.5 p -94.47 160.37 14.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.585 1.178 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 1.7 t70 -156.36 75.31 0.86 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1094 ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -72.64 143.83 48.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.978 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -159.17 132.66 7.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 110.34 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -89.67 124.15 34.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.08 124.15 31.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 143.72 29.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.509 1.794 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 74.98 7.23 81.24 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.447 1.092 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1100 ' ' CYS . . . . . 0.55 ' HB3' ' CZ2' ' A' 1153 ' ' TRP . 87.6 m -132.24 -75.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 157.28 -123.91 1.35 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.556 1.16 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . 0.625 HD11 ' HB ' ' A' 1148 ' ' ILE . 15.7 pt -115.08 136.88 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 0.738 . . . . 0.0 109.356 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -138.74 120.16 1.89 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.556 1.16 . . . . 0.0 110.973 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1104 ' ' CYS . . . . . . . . . . . . . 7.5 p -127.9 140.87 51.75 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1105 ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' 1092 ' ' THR . 2.0 mttt -106.34 152.79 23.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1106 ' ' VAL . . . . . 0.942 ' CG1' HG22 ' A' 1059 ' ' VAL . 10.6 t -144.71 136.58 21.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1107 ' ' SER . . . . . 0.71 ' HB3' HG23 ' A' 1143 ' ' THR . 4.1 p -149.27 151.24 33.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.941 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1108 ' ' ASN . . . . . 0.557 ' HB3' ' CD2' ' A' 1090 ' ' TYR . 4.8 t30 153.78 -20.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.261 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1109 ' ' VAL . . . . . 0.616 ' O ' HD23 ' A' 1113 ' ' LEU . 12.2 m -44.47 -31.49 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -53.93 -46.93 71.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -76.24 -30.22 57.32 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.539 1.149 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1112 ' ' ILE . . . . . 0.508 HD11 HD21 ' A' 1108 ' ' ASN . 42.2 mm -62.67 -49.88 81.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.486 0.757 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1113 ' ' LEU . . . . . 0.616 HD23 ' O ' ' A' 1109 ' ' VAL . 0.7 OUTLIER -71.56 -38.14 70.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 1.181 . . . . 0.0 109.264 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1114 ' ' ALA . . . . . . . . . . . . . . . -87.57 -149.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.378 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -171.74 144.42 1.81 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.603 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.97 118.0 35.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.039 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -140.77 66.48 1.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.235 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -39.96 149.87 0.27 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.345 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 105.0 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.483 1.781 . . . . 0.0 111.046 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1120 ' ' LEU . . . . . 0.72 ' O ' HD23 ' A' 1120 ' ' LEU . 0.3 OUTLIER -166.42 110.83 0.79 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 47.7 t -136.89 -44.23 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.957 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1122 ' ' ALA . . . . . . . . . . . . . . . 61.06 91.26 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.475 1.11 . . . . 0.0 109.366 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 173.14 15.03 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.447 1.762 . . . . 0.0 111.04 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . -60.01 -97.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1125 ' ' SER . . . . . . . . . . . . . 31.2 m -77.05 102.16 6.37 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.441 1.088 . . . . 0.0 109.988 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1126 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -167.52 58.49 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.563 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 6.1 mt -65.81 -12.02 50.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.413 1.071 . . . . 0.0 109.342 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1128 ' ' ASN . . . . . . . . . . . . . 51.2 t30 -48.73 148.42 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -109.49 138.56 45.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.347 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . 55.77 168.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . -159.12 -97.42 0.12 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.482 1.114 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 3.5 m -133.79 123.4 24.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 0.781 . . . . 0.0 109.996 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1133 ' ' LEU . . . . . . . . . . . . . 10.4 mp -72.75 148.6 89.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.237 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1134 ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 175.56 11.09 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.426 1.75 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -71.34 98.57 1.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -45.13 -41.38 7.88 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 2.5 mttt -42.19 128.55 3.7 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.448 1.093 . . . . 0.0 109.295 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 8.2 p30 -118.76 116.81 27.33 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.552 1.157 . . . . 0.0 109.238 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' 1140 ' ' VAL . . . -72.86 82.74 1.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 109.372 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1140 ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' 1139 ' ' ALA . 0.2 OUTLIER -38.98 134.88 1.03 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.595 1.184 . . . . 0.0 109.287 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 155.97 43.03 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.491 1.785 . . . . 0.0 111.006 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 3.5 tp60 -91.55 142.33 27.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 110.312 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1143 ' ' THR . . . . . 0.71 HG23 ' HB3' ' A' 1107 ' ' SER . 53.1 m -117.23 134.51 54.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.403 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -108.57 141.54 40.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' 1185 ' ' ASP . 54.1 p -102.01 130.45 48.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.956 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1146 ' ' VAL . . . . . 0.485 HG22 HG13 ' A' 1184 ' ' ILE . 96.4 t -117.92 138.62 48.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1147 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.57 139.39 53.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1148 ' ' ILE . . . . . 0.85 HG23 HG22 ' A' 1182 ' ' VAL . 0.6 OUTLIER -138.87 157.3 29.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 162.11 -166.37 36.32 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.145 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 12.2 m120 -67.6 146.33 53.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 0.808 . . . . 0.0 109.255 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1151 ' ' ARG . . . . . 0.653 HH21 HH12 ' A' 1155 ' ' ARG . 48.9 mtp180 -51.43 -26.8 8.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1152 ' ' GLU . . . . . 0.614 ' H ' HG21 ' A' 1170 ' ' THR . 0.7 OUTLIER -68.23 -43.04 78.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1153 ' ' TRP . . . . . 0.587 ' CE3' ' O ' ' A' 1153 ' ' TRP . 0.9 OUTLIER -58.79 -52.27 66.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 107.995 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1154 ' ' LEU . . . . . 0.438 ' HG ' HD23 ' A' 1181 ' ' LEU . 3.2 mm? -61.27 -38.27 86.16 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.407 1.067 . . . . 0.0 109.36 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1155 ' ' ARG . . . . . 0.653 HH12 HH21 ' A' 1151 ' ' ARG . 2.8 mpt_? -57.01 -49.08 76.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.227 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -72.52 -22.02 61.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 62.4 t30 -62.43 -59.23 5.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . -174.38 56.56 0.13 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.451 ' CB ' ' HA ' ' A' 1155 ' ' ARG . 0.0 OUTLIER -132.79 -160.15 1.02 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 0.763 . . . . 0.0 109.254 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1160 ' ' THR . . . . . 0.663 HG22 ' H ' ' A' 1161 ' ' ILE . 2.8 m -110.56 -165.91 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.417 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1161 ' ' ILE . . . . . 0.663 ' H ' HG22 ' A' 1160 ' ' THR . 19.6 mm 65.04 153.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1162 ' ' SER . . . . . . . . . . . . . 39.9 t -72.47 144.71 47.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 110.028 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 44.2 m -65.54 -36.01 82.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.011 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 1.4 t0 -70.5 -39.38 74.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 41.5 t -68.18 -48.63 73.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1166 ' ' SER . . . . . 1.009 ' O ' HG23 ' A' 1170 ' ' THR . 7.1 t -67.33 -34.32 77.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.986 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1167 ' ' ASP . . . . . . . . . . . . . 1.3 t70 -63.8 -45.42 89.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -70.19 -34.44 72.94 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.128 . . . . 0.0 109.238 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 6.9 mtm -65.82 -48.52 71.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 0.0 111.001 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1170 ' ' THR . . . . . 1.009 HG23 ' O ' ' A' 1166 ' ' SER . 65.0 p -64.52 -52.32 58.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1171 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.58 -44.43 89.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -54.09 -47.77 71.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 109.628 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1173 ' ' GLU . . . . . 0.424 ' O ' ' O ' ' A' 1177 ' ' GLN . 3.6 mm-40 -57.46 -37.21 72.49 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 2.7 ttp -61.84 -11.1 11.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.57 1.169 . . . . 0.0 110.995 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -87.48 10.46 17.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -159.45 -56.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.543 1.152 . . . . 0.0 111.018 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1177 ' ' GLN . . . . . 0.424 ' O ' ' O ' ' A' 1173 ' ' GLU . 19.2 mp0 -125.8 174.87 8.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 110.219 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1178 ' ' THR . . . . . 0.524 ' HB ' ' CG1' ' A' 1194 ' ' ILE . 1.3 m -124.22 119.89 30.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -132.75 128.35 36.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.597 1.185 . . . . 0.0 109.261 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1180 ' ' ILE . . . . . 0.464 HG13 HG22 ' A' 1192 ' ' ILE . 20.0 pt -130.67 147.37 33.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1181 ' ' LEU . . . . . 0.768 HD21 ' CD2' ' A' 1045 ' ' LEU . 0.5 OUTLIER -101.41 142.08 33.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1182 ' ' VAL . . . . . 0.85 HG22 HG23 ' A' 1148 ' ' ILE . 3.9 t -120.58 121.09 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1183 ' ' ALA . . . . . . . . . . . . . . . -116.85 149.98 39.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1184 ' ' ILE . . . . . 0.642 ' O ' HG12 ' A' 1187 ' ' VAL . 1.2 mp -107.63 111.81 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.142 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1185 ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' 1145 ' ' SER . 0.7 OUTLIER 52.4 43.99 30.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 71.09 14.93 74.05 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1187 ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' 1184 ' ' ILE . 0.4 OUTLIER -112.39 153.91 13.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.477 0.751 . . . . 0.0 109.236 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1188 ' ' LEU . . . . . 0.552 ' HG ' HD23 ' A' 1045 ' ' LEU . 0.6 OUTLIER -61.8 144.1 55.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.26 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1189 ' ' CYS . . . . . 0.521 ' CB ' HD13 ' A' 1184 ' ' ILE . 1.5 t -144.88 -66.44 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 108.325 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1190 ' ' GLY . . . . . 0.559 ' HA2' ' CB ' ' A' 1045 ' ' LEU . . . 170.95 157.88 13.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.458 1.099 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1191 ' ' MET . . . . . 0.633 ' HB3' HD12 ' A' 1181 ' ' LEU . 1.2 ppp? -118.58 148.74 42.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1192 ' ' ILE . . . . . 0.489 HD11 HG21 ' A' 1039 ' ' VAL . 3.3 tt -108.34 134.21 50.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -121.12 117.69 27.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1194 ' ' ILE . . . . . 0.524 ' CG1' ' HB ' ' A' 1178 ' ' THR . 3.9 pt -109.82 130.97 62.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . 0.571 ' O ' ' OXT' ' A' 1196 ' ' ASP . . . -140.06 110.97 6.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1196 ' ' ASP . . . . . 0.571 ' OXT' ' O ' ' A' 1195 ' ' ALA . 19.3 t70 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . -127.54 -148.43 6.88 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1034 ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' 1034 ' ' HIS . 6.0 p80 -113.08 74.46 0.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 0.748 . . . . 0.0 109.573 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -150.52 124.37 9.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1036 ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' 1037 ' ' PRO . 12.6 p -105.05 128.54 26.48 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1037 ' ' PRO . . . . . 0.942 ' HB2' HD11 ' A' 1194 ' ' ILE . 18.3 Cg_endo -74.96 171.25 18.67 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.488 1.783 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1038 ' ' ARG . . . . . 0.839 ' HA ' HD13 ' A' 1071 ' ' LEU . 4.2 mpt_? -135.95 163.13 30.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1039 ' ' VAL . . . . . . . . . . . . . 9.8 p -68.67 137.41 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1040 ' ' MET . . . . . 0.523 ' O ' ' CG ' ' A' 1041 ' ' ARG . 6.9 tpt -100.84 -42.61 6.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1041 ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' 1040 ' ' MET . 32.5 mtt180 -164.96 157.36 15.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.434 1.084 . . . . 0.0 110.22 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 2.4 t -129.84 137.13 57.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.78 138.9 50.69 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.254 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.664 ' O ' HD12 ' A' 1045 ' ' LEU . 3.1 tp -79.43 136.69 37.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.127 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1045 ' ' LEU . . . . . 0.682 ' O ' HD12 ' A' 1188 ' ' LEU . 0.7 OUTLIER -145.17 23.95 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.274 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . 0.581 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -122.85 114.89 2.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.586 1.179 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.97 141.86 48.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1048 ' ' VAL . . . . . 0.63 HG11 ' HB2' ' A' 1053 ' ' LEU . 4.9 t -131.04 30.08 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.585 1.178 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -92.63 -15.56 26.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.376 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1050 ' ' THR . . . . . . . . . . . . . 6.2 m -131.97 -36.46 1.18 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.498 1.124 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1051 ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' 1052 ' ' PRO . 6.1 mp -99.92 146.63 32.21 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 1051 ' ' LEU . 18.4 Cg_endo -75.02 134.43 17.77 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.518 1.799 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1053 ' ' LEU . . . . . 0.63 ' HB2' HG11 ' A' 1048 ' ' VAL . 7.5 tp -77.18 -35.11 56.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -65.21 -45.3 85.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 110.265 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -50.53 56.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.177 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . . . . . . . . . 7.9 t -57.8 -41.51 79.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1057 ' ' LEU . . . . . 0.41 ' O ' HG12 ' A' 1060 ' ' VAL . 31.8 tp -64.81 -35.23 80.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.7 92.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . 0.446 ' O ' HG22 ' A' 1062 ' ' THR . 43.1 t -68.69 -47.6 75.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 109.376 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1060 ' ' VAL . . . . . 0.41 HG12 ' O ' ' A' 1057 ' ' LEU . 0.4 OUTLIER -56.79 -38.79 60.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1061 ' ' GLY . . . . . 0.491 ' HA2' ' CG2' ' A' 1076 ' ' THR . . . -73.82 -33.59 57.49 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1062 ' ' THR . . . . . 0.776 HG21 ' CG ' ' A' 1090 ' ' TYR . 0.5 OUTLIER -62.75 -40.37 97.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 110.439 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1063 ' ' ALA . . . . . 0.733 ' HB2' HG11 ' A' 1106 ' ' VAL . . . -84.72 -44.66 13.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1064 ' ' GLU . . . . . 0.545 ' HB2' HG21 ' A' 1076 ' ' THR . 3.0 mm-40 -55.32 -45.49 76.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.268 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1065 ' ' ALA . . . . . 0.652 ' HB2' ' HB ' ' A' 1076 ' ' THR . . . -76.48 -22.45 54.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1066 ' ' SER . . . . . . . . . . . . . 8.5 t -108.77 27.4 9.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.025 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1067 ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' 1063 ' ' ALA . 0.4 OUTLIER -78.51 -30.15 46.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.026 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1068 ' ' GLU . . . . . . . . . . . . . 3.4 tt0 77.38 21.68 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.088 . . . . 0.0 110.31 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1069 ' ' HIS . . . . . 0.5 ' CG ' ' HD2' ' A' 1070 ' ' PRO . 13.1 t-80 -90.68 142.55 27.96 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.598 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1070 ' ' PRO . . . . . 0.5 ' HD2' ' CG ' ' A' 1069 ' ' HIS . 18.3 Cg_endo -75.02 56.13 4.17 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.455 1.766 . . . . 0.0 110.961 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1071 ' ' LEU . . . . . 0.839 HD13 ' HA ' ' A' 1038 ' ' ARG . 0.1 OUTLIER 165.41 -52.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.334 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -58.34 -35.73 80.2 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1073 ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' 1065 ' ' ALA . 0.3 OUTLIER -64.68 -47.97 86.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1074 ' ' ALA . . . . . 0.481 ' N ' ' CG1' ' A' 1073 ' ' VAL . . . -67.01 -33.81 76.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1075 ' ' VAL . . . . . 0.425 HG23 HD12 ' A' 1071 ' ' LEU . 2.4 t -59.32 -49.32 83.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.435 1.085 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1076 ' ' THR . . . . . 0.652 ' HB ' ' HB2' ' A' 1065 ' ' ALA . 0.2 OUTLIER -69.01 -42.64 76.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.432 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 8.6 tppt? -57.15 -42.0 80.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -66.81 -46.13 76.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.545 1.153 . . . . 0.0 111.012 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1079 ' ' CYS . . . . . 0.677 ' O ' HD12 ' A' 1083 ' ' LEU . 0.1 OUTLIER -61.34 -35.65 78.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 108.342 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 8.9 mttp -66.7 -39.91 88.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.403 1.065 . . . . 0.0 109.333 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.44 -42.55 98.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -78.09 -21.63 50.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 110.221 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1083 ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' 1079 ' ' CYS . 5.0 mt -83.39 -22.43 32.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 77.84 30.94 50.77 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1085 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.98 122.12 19.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 110.439 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -102.84 23.37 12.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 60.7 m -50.88 136.76 22.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 110.367 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1088 ' ' LEU . . . . . . . . . . . . . 3.7 tp -177.76 113.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 169.18 37.27 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.526 1.141 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1090 ' ' TYR . . . . . 0.776 ' CG ' HG21 ' A' 1062 ' ' THR . 0.2 OUTLIER -101.53 160.33 14.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 0.781 . . . . 0.0 110.984 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1091 ' ' CYS . . . . . 0.688 ' O ' ' HA ' ' A' 1106 ' ' VAL . 8.6 t -96.46 113.15 24.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.517 1.136 . . . . 0.0 108.396 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1092 ' ' THR . . . . . . . . . . . . . 45.1 p -93.93 152.16 19.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.606 1.191 . . . . 0.0 110.374 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.92 75.43 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1094 ' ' PHE . . . . . . . . . . . . . 18.0 p90 -73.64 147.08 44.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -159.58 138.3 10.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 110.301 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -109.26 129.41 55.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 109.355 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 44.5 t -114.9 124.47 30.34 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 142.71 28.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.515 1.798 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 76.06 11.73 84.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1100 ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -138.37 -74.73 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 165.97 -132.61 2.69 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.506 1.129 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . 0.575 HD12 ' N ' ' A' 1102 ' ' ILE . 0.4 OUTLIER -134.78 163.13 37.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -170.58 155.27 24.58 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.433 1.083 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1104 ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' 1105 ' ' LYS . 7.0 t -142.74 153.12 43.02 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.258 -1.015 . . . . 0.0 108.258 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1105 ' ' LYS . . . . . 0.437 ' N ' ' SG ' ' A' 1104 ' ' CYS . 0.0 OUTLIER -116.15 154.74 29.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1106 ' ' VAL . . . . . 0.733 HG11 ' HB2' ' A' 1063 ' ' ALA . 0.0 OUTLIER -143.04 126.79 14.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1107 ' ' SER . . . . . 0.541 ' HB3' HG23 ' A' 1143 ' ' THR . 6.3 p -150.67 136.5 18.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.17 . . . . 0.0 110.012 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1108 ' ' ASN . . . . . 0.63 HD22 ' N ' ' A' 1091 ' ' CYS . 0.6 OUTLIER 165.6 -27.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.062 . . . . 0.0 109.29 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1109 ' ' VAL . . . . . 0.504 ' CG1' ' OH ' ' A' 1090 ' ' TYR . 3.4 p -44.23 -29.19 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -66.43 -46.35 76.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' 1108 ' ' ASN . . . -66.55 -29.33 74.6 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1112 ' ' ILE . . . . . . . . . . . . . 33.7 mm -73.31 -38.42 53.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 0.768 . . . . 0.0 109.299 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1113 ' ' LEU . . . . . 0.43 HD23 ' N ' ' A' 1113 ' ' LEU . 0.7 OUTLIER -66.19 -39.71 89.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1114 ' ' ALA . . . . . . . . . . . . . . . 63.37 142.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -148.21 64.31 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.576 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 11.2 t -138.75 129.19 25.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.992 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -130.34 57.02 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 27.0 ttt85 -158.32 86.53 2.44 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.249 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 159.88 41.09 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.439 1.758 . . . . 0.0 111.018 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.79 -64.81 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 9.3 m 42.07 91.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.956 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1122 ' ' ALA . . . . . . . . . . . . . . . -176.99 66.23 0.22 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.412 1.07 . . . . 0.0 109.335 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 114.82 4.11 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.475 1.776 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . -177.85 170.46 1.92 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1125 ' ' SER . . . . . . . . . . . . . 35.2 t -87.51 -60.12 2.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.989 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1126 ' ' HIS . . . . . . . . . . . . . 2.0 m-70 48.07 59.54 4.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.59 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 10.0 tp -63.69 -13.54 43.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1128 ' ' ASN . . . . . . . . . . . . . 46.1 t30 -46.33 158.09 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.329 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -98.2 119.85 37.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . -145.33 171.9 13.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . -148.85 -112.91 0.66 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.465 1.103 . . . . 0.0 111.049 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 4.0 m 62.2 137.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 0.0 109.992 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1133 ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -114.29 144.0 30.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1134 ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.02 171.92 17.39 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.8 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -99.57 -65.93 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.082 . . . . 0.0 109.344 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 54.1 104.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.23 158.21 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -126.29 118.92 26.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -136.92 166.45 23.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.224 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1140 ' ' VAL . . . . . 0.465 HG23 ' HD2' ' A' 1141 ' ' PRO . 0.7 OUTLIER -100.95 136.95 19.65 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1141 ' ' PRO . . . . . 0.465 ' HD2' HG23 ' A' 1140 ' ' VAL . 18.8 Cg_endo -74.81 164.36 33.73 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.499 1.789 . . . . 0.0 111.067 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -71.75 110.41 6.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1143 ' ' THR . . . . . 0.541 HG23 ' HB3' ' A' 1107 ' ' SER . 1.9 m -107.28 134.23 50.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.09 . . . . 0.0 110.441 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -106.0 140.62 38.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.453 1.096 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 47.2 p -110.47 128.98 55.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 110.003 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1146 ' ' VAL . . . . . 0.596 HG22 HD12 ' A' 1184 ' ' ILE . 46.0 t -121.27 140.7 44.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1147 ' ' LEU . . . . . 0.748 HD13 ' H ' ' A' 1186 ' ' GLY . 0.3 OUTLIER -127.82 148.26 50.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.099 . . . . 0.0 109.308 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1148 ' ' ILE . . . . . 0.956 HG23 HG13 ' A' 1182 ' ' VAL . 0.3 OUTLIER -141.32 156.79 21.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.59 1.181 . . . . 0.0 109.249 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1149 ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' 1153 ' ' TRP . . . 160.42 -174.29 37.11 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1150 ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' 1153 ' ' TRP . 14.9 t-20 -69.65 152.8 44.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 0.767 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1151 ' ' ARG . . . . . 0.401 ' O ' ' HB2' ' A' 1155 ' ' ARG . 13.5 mtp180 -45.37 -34.88 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1152 ' ' GLU . . . . . 0.481 ' CB ' ' HB2' ' A' 1167 ' ' ASP . 1.0 OUTLIER -69.67 -35.08 74.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1153 ' ' TRP . . . . . 1.153 ' CH2' HD23 ' A' 1154 ' ' LEU . 0.0 OUTLIER -61.11 -53.38 57.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 108.0 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1154 ' ' LEU . . . . . 1.153 HD23 ' CH2' ' A' 1153 ' ' TRP . 0.2 OUTLIER -64.75 -41.57 95.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1155 ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' 1160 ' ' THR . 0.7 OUTLIER -55.27 -47.9 74.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.68 -25.06 62.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.337 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -62.32 -49.72 74.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 109.353 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 164.87 57.66 0.02 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.442 1.089 . . . . 0.0 111.017 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.481 HD22 ' H ' ' A' 1160 ' ' THR . 0.5 OUTLIER -124.43 -162.04 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 0.719 . . . . 0.0 109.256 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1160 ' ' THR . . . . . 0.535 HG22 ' H ' ' A' 1161 ' ' ILE . 2.6 m -109.29 -178.09 3.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.385 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1161 ' ' ILE . . . . . 0.535 ' H ' HG22 ' A' 1160 ' ' THR . 15.1 mm 64.41 162.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1162 ' ' SER . . . . . 0.457 ' N ' ' CG2' ' A' 1161 ' ' ILE . 38.0 t -75.72 141.68 42.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.6 OUTLIER -68.55 -34.25 75.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.29 -38.93 71.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1165 ' ' VAL . . . . . 0.444 ' CG2' ' HB3' ' A' 1162 ' ' SER . 30.8 t -62.55 -51.98 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1166 ' ' SER . . . . . . . . . . . . . 3.5 t -70.87 -33.75 70.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1167 ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' 1163 ' ' SER . 8.0 t0 -63.65 -42.57 98.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 0.0 109.251 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -66.98 -42.62 84.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.09 . . . . 0.0 109.228 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 1.1 tpt -59.93 -51.28 70.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1170 ' ' THR . . . . . 0.456 ' CG2' ' ND2' ' A' 1150 ' ' ASN . 17.3 m -67.0 -40.25 87.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.468 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1171 ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.5 OUTLIER -57.89 -46.78 84.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.249 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -59.35 -44.23 92.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.578 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1173 ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -57.17 -36.4 70.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.387 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 8.0 ttt -63.48 -10.46 17.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 1.7 tttt -84.71 8.3 17.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -155.23 -55.01 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.407 1.067 . . . . 0.0 111.055 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1177 ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -126.18 159.24 33.49 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.492 0.76 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1178 ' ' THR . . . . . 0.724 ' HB ' HG23 ' A' 1194 ' ' ILE . 1.0 OUTLIER -94.82 120.36 34.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.412 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -112.61 127.87 56.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1180 ' ' ILE . . . . . . . . . . . . . 4.5 pt -138.44 130.31 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1181 ' ' LEU . . . . . . . . . . . . . 2.7 tt -101.24 140.7 35.17 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.559 1.162 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1182 ' ' VAL . . . . . 0.956 HG13 HG23 ' A' 1148 ' ' ILE . 3.1 t -119.09 119.7 61.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1183 ' ' ALA . . . . . 0.665 ' HB3' HD21 ' A' 1154 ' ' LEU . . . -118.01 149.61 40.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1184 ' ' ILE . . . . . 0.596 HD12 HG22 ' A' 1146 ' ' VAL . 0.5 OUTLIER -109.89 115.59 50.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 15.8 t0 56.84 39.49 29.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1186 ' ' GLY . . . . . 0.748 ' H ' HD13 ' A' 1147 ' ' LEU . . . 71.68 15.03 75.49 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1187 ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' 1184 ' ' ILE . 2.1 t -116.68 154.63 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 0.759 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1188 ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' 1045 ' ' LEU . 0.7 OUTLIER -59.83 144.84 47.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1189 ' ' CYS . . . . . 0.581 ' O ' ' N ' ' A' 1046 ' ' GLY . 3.1 t -147.25 -57.61 0.26 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 108.277 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1190 ' ' GLY . . . . . 0.448 ' HA2' ' HB2' ' A' 1045 ' ' LEU . . . 179.47 157.01 19.02 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1191 ' ' MET . . . . . . . . . . . . . 33.9 ttp -121.05 143.78 48.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.771 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1192 ' ' ILE . . . . . . . . . . . . . 2.0 mm -109.21 135.25 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -125.37 122.35 36.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1194 ' ' ILE . . . . . 0.942 HD11 ' HB2' ' A' 1037 ' ' PRO . 0.5 OUTLIER -117.78 141.2 37.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . 0.457 ' HB3' ' HB2' ' A' 1040 ' ' MET . . . -125.37 104.11 8.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 9.2 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.244 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . 175.04 159.03 20.53 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1034 ' ' HIS . . . . . . . . . . . . . 1.3 t60 -129.37 92.59 3.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 0.778 . . . . 0.0 109.59 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 179.68 123.71 0.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1036 ' ' VAL . . . . . . . . . . . . . 31.9 m -90.41 125.48 59.7 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -171.79 1.07 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.588 1.836 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1038 ' ' ARG . . . . . 0.918 ' HA ' HD13 ' A' 1071 ' ' LEU . 0.0 OUTLIER -136.25 163.32 30.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1039 ' ' VAL . . . . . . . . . . . . . 4.4 p -68.18 136.25 26.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1040 ' ' MET . . . . . 0.688 ' CG ' ' HB3' ' A' 1195 ' ' ALA . 0.0 OUTLIER -93.51 -44.21 8.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 111.001 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.49 157.05 8.57 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 110.239 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -124.17 138.65 53.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.77 150.5 39.69 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.901 ' O ' HD22 ' A' 1045 ' ' LEU . 3.1 tp -78.19 135.29 37.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1045 ' ' LEU . . . . . 0.901 HD22 ' O ' ' A' 1044 ' ' LEU . 1.5 mm? -143.12 24.47 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -132.04 118.64 2.33 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.555 1.159 . . . . 0.0 111.053 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.04 143.42 30.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.612 0.831 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1048 ' ' VAL . . . . . 0.717 HG12 ' O ' ' A' 1048 ' ' VAL . 81.2 t -91.1 26.49 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -94.01 -5.3 47.88 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.094 . . . . 0.0 109.256 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1050 ' ' THR . . . . . 0.679 ' O ' HD12 ' A' 1051 ' ' LEU . 3.3 m -116.56 -35.08 4.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 110.374 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1051 ' ' LEU . . . . . 0.702 HD23 ' HD2' ' A' 1052 ' ' PRO . 0.1 OUTLIER -161.53 172.46 5.66 Favored Pre-proline 0 C--N 1.327 -0.408 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . 0.702 ' HD2' HD23 ' A' 1051 ' ' LEU . 18.3 Cg_endo -75.0 133.21 16.32 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.779 . . . . 0.0 111.045 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 4.1 tp -71.06 -26.87 63.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1054 ' ' ARG . . . . . 0.465 ' CB ' ' HE2' ' A' 1055 ' ' LYS . 11.1 mmt180 -63.34 -47.69 81.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 110.326 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1055 ' ' LYS . . . . . 0.493 ' CG ' ' HG2' ' A' 1052 ' ' PRO . 3.4 mmtt -71.28 -36.92 71.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.551 1.157 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.404 ' O ' HG12 ' A' 1059 ' ' VAL . 3.3 t -61.93 -46.2 97.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.246 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.05 -35.76 82.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1058 ' ' ALA . . . . . 0.409 ' O ' ' HB ' ' A' 1062 ' ' THR . . . -61.07 -47.21 87.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . 0.694 HG21 ' HD2' ' A' 1144 ' ' PHE . 0.4 OUTLIER -69.89 -41.33 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1060 ' ' VAL . . . . . 0.414 ' O ' ' CG ' ' A' 1064 ' ' GLU . 3.4 t -59.84 -39.35 79.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.225 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1061 ' ' GLY . . . . . 0.502 ' HA2' ' CG2' ' A' 1076 ' ' THR . . . -74.85 -35.8 49.36 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1062 ' ' THR . . . . . 0.853 ' CG2' HG21 ' A' 1106 ' ' VAL . 0.6 OUTLIER -62.73 -39.24 93.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 110.413 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1063 ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' 1067 ' ' SER . . . -84.35 -46.3 11.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.369 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1064 ' ' GLU . . . . . 0.648 ' HB2' HG21 ' A' 1076 ' ' THR . 51.9 mm-40 -54.91 -44.74 74.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1065 ' ' ALA . . . . . 0.686 ' O ' HG22 ' A' 1073 ' ' VAL . . . -75.88 -22.31 56.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1066 ' ' SER . . . . . . . . . . . . . 21.0 t -114.23 33.19 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.922 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1067 ' ' SER . . . . . 0.512 ' N ' ' O ' ' A' 1063 ' ' ALA . 38.0 m -82.9 -104.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.991 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1068 ' ' GLU . . . . . 0.446 ' CB ' ' O ' ' A' 1067 ' ' SER . 0.1 OUTLIER 164.51 44.61 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.239 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1069 ' ' HIS . . . . . 0.424 ' HA ' ' HD3' ' A' 1070 ' ' PRO . 16.5 t60 -123.89 134.49 25.4 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.552 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1070 ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' 1069 ' ' HIS . 18.1 Cg_endo -75.08 55.81 4.1 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1071 ' ' LEU . . . . . 0.918 HD13 ' HA ' ' A' 1038 ' ' ARG . 0.1 OUTLIER 172.08 -49.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . 0.45 ' N ' ' HG ' ' A' 1071 ' ' LEU . . . -63.15 -47.6 86.88 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.542 1.151 . . . . 0.0 111.058 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1073 ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' 1065 ' ' ALA . 0.4 OUTLIER -60.95 -42.36 92.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.555 0.797 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -67.37 -35.53 79.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1075 ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' 1071 ' ' LEU . 2.4 t -61.64 -43.01 96.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1076 ' ' THR . . . . . 0.648 HG21 ' HB2' ' A' 1064 ' ' GLU . 0.2 OUTLIER -67.17 -45.28 77.47 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.392 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.81 -47.24 80.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.05 -41.1 97.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 111.048 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1079 ' ' CYS . . . . . 0.575 ' O ' HD12 ' A' 1083 ' ' LEU . 0.5 OUTLIER -63.95 -36.85 85.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 108.285 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1080 ' ' LYS . . . . . 0.515 ' CG ' ' O ' ' A' 1085 ' ' THR . 0.0 OUTLIER -64.09 -42.9 96.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -62.93 -39.14 93.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 110.364 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.56 -21.49 48.62 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.542 1.152 . . . . 0.0 110.334 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1083 ' ' LEU . . . . . 0.575 HD12 ' O ' ' A' 1079 ' ' CYS . 4.1 mt -83.48 -23.13 32.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 86.2 25.76 35.94 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.048 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1085 ' ' THR . . . . . 0.515 ' O ' ' CG ' ' A' 1080 ' ' LYS . 0.2 OUTLIER -136.82 122.42 19.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.544 0.79 . . . . 0.0 110.413 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.23 23.92 13.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 86.9 m -65.95 149.94 49.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.604 1.19 . . . . 0.0 110.388 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1088 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 179.58 118.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1089 ' ' GLY . . . . . 0.493 ' CA ' HD11 ' A' 1112 ' ' ILE . . . 175.28 36.69 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.14 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1090 ' ' TYR . . . . . 0.8 ' OH ' HG12 ' A' 1109 ' ' VAL . 1.5 m-85 -98.26 160.4 14.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 0.766 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1091 ' ' CYS . . . . . 0.616 ' O ' ' HA ' ' A' 1106 ' ' VAL . 1.6 t -97.7 113.26 24.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.456 1.097 . . . . 0.0 108.307 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1092 ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' 1105 ' ' LYS . 16.9 p -94.72 162.03 13.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.422 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1093 ' ' ASP . . . . . 0.408 ' O ' ' HA ' ' A' 1104 ' ' CYS . 0.8 OUTLIER -158.21 76.36 0.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.582 1.176 . . . . 0.0 109.323 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1094 ' ' PHE . . . . . 0.489 ' HA ' ' CB ' ' A' 1104 ' ' CYS . 6.5 p90 -74.39 168.12 20.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 179.28 125.47 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.319 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -95.45 123.2 38.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 44.5 t -109.83 123.86 35.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 135.65 19.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.515 1.797 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 77.54 16.17 80.57 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.41 1.068 . . . . 0.0 110.972 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1100 ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -137.82 -71.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.342 -0.984 . . . . 0.0 108.342 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 158.77 -139.13 6.06 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 47.6 pt -122.15 138.66 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . 0.451 ' HA3' HD12 ' A' 1147 ' ' LEU . . . -141.89 153.15 24.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1104 ' ' CYS . . . . . 0.489 ' CB ' ' HA ' ' A' 1094 ' ' PHE . 31.0 p -156.72 156.1 32.79 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1105 ' ' LYS . . . . . 0.453 ' O ' ' HA ' ' A' 1092 ' ' THR . 16.6 mttt -123.47 151.93 42.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1106 ' ' VAL . . . . . 0.853 HG21 ' CG2' ' A' 1062 ' ' THR . 15.0 p -145.59 127.49 8.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1107 ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' 1108 ' ' ASN . 37.2 t -151.06 136.13 17.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1108 ' ' ASN . . . . . 0.52 ' CB ' ' O ' ' A' 1107 ' ' SER . 0.9 OUTLIER 154.75 41.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.145 . . . . 0.0 109.348 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1109 ' ' VAL . . . . . 0.8 HG12 ' OH ' ' A' 1090 ' ' TYR . 0.6 OUTLIER -83.91 -30.98 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' 1114 ' ' ALA . 0.5 OUTLIER -60.17 -44.44 95.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.235 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -79.99 -44.09 9.33 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.435 1.084 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1112 ' ' ILE . . . . . 0.595 HG13 ' CD1' ' A' 1090 ' ' TYR . 9.3 mm -57.64 -36.1 53.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1113 ' ' LEU . . . . . 0.703 ' C ' HD12 ' A' 1113 ' ' LEU . 0.4 OUTLIER -82.3 -38.4 24.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 109.338 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1114 ' ' ALA . . . . . 0.406 ' N ' HD12 ' A' 1113 ' ' LEU . . . -97.02 80.8 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.245 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 22.4 p-80 -56.74 173.81 0.18 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.535 1.147 . . . . 0.0 109.569 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 1.3 t -54.8 120.46 6.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 110.006 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -173.12 75.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.561 1.163 . . . . 0.0 110.332 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -135.34 120.22 13.61 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.225 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.05 42.86 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.47 1.773 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.19 -78.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 17.0 t -158.27 -95.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 110.034 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1122 ' ' ALA . . . . . . . . . . . . . . . -158.29 149.13 16.16 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.324 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 114.7 4.08 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.476 1.777 . . . . 0.0 111.023 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . -173.88 179.86 1.89 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1125 ' ' SER . . . . . . . . . . . . . 96.0 p -98.83 88.5 4.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1126 ' ' HIS . . . . . . . . . . . . . 5.3 t60 45.46 57.87 4.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 109.628 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.96 -13.09 56.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.361 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1128 ' ' ASN . . . . . . . . . . . . . 54.6 t30 -48.69 121.64 4.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 1.4 mp0 59.45 107.51 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 0.0 110.361 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . -168.36 63.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . 125.44 -65.19 0.56 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.73 162.11 41.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.993 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1133 ' ' LEU . . . . . 0.496 HD23 ' H ' ' A' 1133 ' ' LEU . 0.6 OUTLIER -80.89 149.85 67.88 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1134 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -177.65 3.62 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.506 1.793 . . . . 0.0 110.979 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . -154.76 158.14 39.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -150.17 -61.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.42 1.075 . . . . 0.0 110.322 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 16.1 mttt 68.07 135.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.086 . . . . 0.0 109.24 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.29 124.36 32.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' 1140 ' ' VAL . . . -81.89 119.94 24.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.253 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1140 ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' 1139 ' ' ALA . 0.2 OUTLIER -36.47 135.94 0.57 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 109.312 179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1141 ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' 1140 ' ' VAL . 18.2 Cg_endo -74.92 176.65 9.6 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.53 1.805 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -84.13 127.79 34.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1143 ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' 1107 ' ' SER . 1.2 m -108.39 134.52 51.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 110.393 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1144 ' ' PHE . . . . . 0.694 ' HD2' HG21 ' A' 1059 ' ' VAL . 29.9 m-85 -110.04 142.11 41.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 95.0 p -115.95 129.02 56.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.028 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1146 ' ' VAL . . . . . 0.411 ' O ' HD13 ' A' 1147 ' ' LEU . 11.8 t -117.96 120.64 65.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1147 ' ' LEU . . . . . 0.57 HD22 ' N ' ' A' 1147 ' ' LEU . 0.4 OUTLIER -114.88 150.8 35.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1148 ' ' ILE . . . . . 0.686 ' N ' HD12 ' A' 1148 ' ' ILE . 0.1 OUTLIER -141.69 154.79 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1149 ' ' GLY . . . . . 0.562 ' HA3' ' CD2' ' A' 1153 ' ' TRP . . . 164.68 -174.86 40.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1150 ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' 1153 ' ' TRP . 5.7 m120 -73.64 159.6 32.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 0.0 109.288 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1151 ' ' ARG . . . . . 0.475 HH21 ' HG3' ' A' 1173 ' ' GLU . 49.1 mtt-85 -47.07 -35.21 6.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.235 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1152 ' ' GLU . . . . . 0.463 ' OE2' ' CZ ' ' A' 1156 ' ' ARG . 1.8 tt0 -70.29 -36.08 74.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.28 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1153 ' ' TRP . . . . . 1.063 ' CH2' HD13 ' A' 1154 ' ' LEU . 0.0 OUTLIER -58.75 -54.41 47.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 108.015 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1154 ' ' LEU . . . . . 1.063 HD13 ' CH2' ' A' 1153 ' ' TRP . 1.1 tp -60.07 -39.19 85.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1155 ' ' ARG . . . . . 0.43 ' HA ' ' CB ' ' A' 1159 ' ' LEU . 16.6 tpt85 -56.8 -50.61 71.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.592 1.183 . . . . 0.0 110.357 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1156 ' ' ARG . . . . . 0.463 ' CZ ' ' OE2' ' A' 1152 ' ' GLU . 5.6 mtm-85 -66.95 -25.51 66.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 6.6 t30 -68.83 -39.2 80.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 147.53 61.73 0.01 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.531 1.144 . . . . 0.0 110.948 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.43 ' CB ' ' HA ' ' A' 1155 ' ' ARG . 0.2 OUTLIER -120.27 -165.2 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 0.726 . . . . 0.0 109.28 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1160 ' ' THR . . . . . 0.644 HG22 ' H ' ' A' 1161 ' ' ILE . 2.5 m -114.12 -167.19 1.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.347 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1161 ' ' ILE . . . . . 0.644 ' H ' HG22 ' A' 1160 ' ' THR . 1.0 OUTLIER 67.51 159.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 109.346 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1162 ' ' SER . . . . . 0.456 ' HB3' ' CG2' ' A' 1165 ' ' VAL . 35.2 t -69.08 144.31 53.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.941 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.2 OUTLIER -66.24 -35.79 81.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.77 -39.77 69.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1165 ' ' VAL . . . . . 0.456 ' CG2' ' HB3' ' A' 1162 ' ' SER . 54.5 t -65.72 -49.35 78.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.334 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1166 ' ' SER . . . . . . . . . . . . . 4.8 t -69.03 -37.02 78.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.587 1.179 . . . . 0.0 109.945 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1167 ' ' ASP . . . . . 0.472 ' CB ' ' O ' ' A' 1163 ' ' SER . 11.8 t0 -66.04 -39.58 90.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1168 ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' 1172 ' ' HIS . . . -69.99 -40.5 75.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -63.91 -49.3 73.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1170 ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.78 -43.95 97.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.424 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1171 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.64 -40.84 96.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.609 1.193 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1172 ' ' HIS . . . . . 0.408 ' HB2' ' O ' ' A' 1168 ' ' ALA . 0.3 OUTLIER -54.64 -48.11 72.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.086 . . . . 0.0 109.619 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1173 ' ' GLU . . . . . 0.475 ' HG3' HH21 ' A' 1151 ' ' ARG . 19.5 mm-40 -57.39 -46.62 83.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.267 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 1.3 ttm -64.09 -9.33 15.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.977 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -86.84 10.17 16.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -158.47 -57.72 0.01 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.516 1.135 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1177 ' ' GLN . . . . . 0.429 ' O ' ' O ' ' A' 1173 ' ' GLU . 57.5 mt-30 -125.94 174.73 8.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 0.756 . . . . 0.0 110.25 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1178 ' ' THR . . . . . . . . . . . . . 3.6 m -96.27 119.3 34.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.362 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -114.26 127.6 55.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1180 ' ' ILE . . . . . . . . . . . . . 10.2 pt -144.12 130.69 16.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1181 ' ' LEU . . . . . 0.425 ' HG ' ' CB ' ' A' 1191 ' ' MET . 0.0 OUTLIER -108.26 143.66 36.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1182 ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' 1190 ' ' GLY . 1.5 m -119.65 123.12 70.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1183 ' ' ALA . . . . . 0.843 ' HB2' HD21 ' A' 1154 ' ' LEU . . . -116.65 150.33 38.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1184 ' ' ILE . . . . . 0.46 HG23 ' O ' ' A' 1184 ' ' ILE . 1.4 tt -109.12 113.69 44.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 27.6 t0 56.52 39.8 29.77 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 0.0 109.239 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.71 15.61 77.88 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.524 1.14 . . . . 0.0 111.035 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1187 ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' 1184 ' ' ILE . 2.1 t -116.55 154.82 18.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1188 ' ' LEU . . . . . 0.763 HD21 ' CD1' ' A' 1045 ' ' LEU . 0.4 OUTLIER -59.38 143.69 48.9 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1189 ' ' CYS . . . . . 0.529 ' O ' ' N ' ' A' 1046 ' ' GLY . 1.7 t -144.54 -67.31 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 108.369 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1190 ' ' GLY . . . . . 0.486 ' HA2' ' HB2' ' A' 1045 ' ' LEU . . . -169.57 160.6 33.82 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.426 1.079 . . . . 0.0 111.012 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1191 ' ' MET . . . . . 0.425 ' CB ' ' HG ' ' A' 1181 ' ' LEU . 5.7 ptm -124.39 140.87 52.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 0.742 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1192 ' ' ILE . . . . . . . . . . . . . 37.1 mt -109.42 134.98 49.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -122.67 118.98 29.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1194 ' ' ILE . . . . . . . . . . . . . 3.0 mt -106.53 140.25 25.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . 0.688 ' HB3' ' CG ' ' A' 1040 ' ' MET . . . -141.03 103.21 4.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.606 1.191 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1196 ' ' ASP . . . . . 0.96 ' OXT' ' OD1' ' A' 1196 ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1033 ' ' GLY . . . . . 0.457 ' O ' ' CG ' ' A' 1034 ' ' HIS . . . 151.86 135.34 2.25 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.459 1.099 . . . . 0.0 110.951 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1034 ' ' HIS . . . . . 0.457 ' CG ' ' O ' ' A' 1033 ' ' GLY . 17.2 m80 -164.3 78.29 0.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 0.783 . . . . 0.0 109.547 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 1.4 mtm -156.08 126.94 6.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 111.033 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1036 ' ' VAL . . . . . . . . . . . . . 3.8 t -110.43 131.83 21.84 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 171.23 18.73 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.781 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1038 ' ' ARG . . . . . 0.42 ' HB3' HD12 ' A' 1071 ' ' LEU . 0.5 OUTLIER -135.33 162.94 31.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1039 ' ' VAL . . . . . 0.811 HG21 HG21 ' A' 1075 ' ' VAL . 1.0 OUTLIER -69.73 131.63 33.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.234 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1040 ' ' MET . . . . . 0.685 ' HB2' ' HB3' ' A' 1195 ' ' ALA . 1.1 ttt -100.75 -43.55 6.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.123 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 2.0 ptt85 -169.37 156.72 7.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 110.327 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 1.7 p -120.06 139.26 47.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -120.51 150.62 40.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 18.1 tp -76.51 140.06 41.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1045 ' ' LEU . . . . . 0.552 ' O ' ' CB ' ' A' 1188 ' ' LEU . 1.5 tp -144.45 23.32 1.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -85.21 -145.97 8.09 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.148 . . . . 0.0 111.014 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 8.1 t0 -179.54 174.38 0.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 0.787 . . . . 0.0 109.263 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1048 ' ' VAL . . . . . . . . . . . . . 3.0 t -87.71 45.63 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1049 ' ' ALA . . . . . 0.532 ' O ' ' CB ' ' A' 1050 ' ' THR . . . -79.4 6.35 10.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1050 ' ' THR . . . . . 0.532 ' CB ' ' O ' ' A' 1049 ' ' ALA . 2.5 m 84.53 6.54 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.455 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1051 ' ' LEU . . . . . 0.449 HD23 ' HB3' ' A' 1049 ' ' ALA . 2.5 pp -80.9 138.53 49.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . 0.457 ' HG2' ' CB ' ' A' 1055 ' ' LYS . 18.2 Cg_endo -74.98 132.16 15.13 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 15.6 tp -74.06 -40.37 62.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 109.36 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -62.27 -40.91 97.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.272 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1055 ' ' LYS . . . . . 0.457 ' CB ' ' HG2' ' A' 1052 ' ' PRO . 0.0 OUTLIER -66.62 -50.14 63.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.321 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.484 ' O ' HG23 ' A' 1060 ' ' VAL . 0.4 OUTLIER -58.24 -40.16 76.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1057 ' ' LEU . . . . . . . . . . . . . 1.2 mm? -64.08 -35.27 80.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1058 ' ' ALA . . . . . 0.429 ' O ' ' HB ' ' A' 1062 ' ' THR . . . -71.42 -33.7 69.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . 0.615 ' O ' HG22 ' A' 1062 ' ' THR . 15.0 t -70.79 -50.8 41.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1060 ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' 1056 ' ' VAL . 40.5 t -69.91 -34.27 59.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1061 ' ' GLY . . . . . . . . . . . . . . . -69.0 -48.74 45.82 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.461 1.101 . . . . 0.0 111.042 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1062 ' ' THR . . . . . 0.615 HG22 ' O ' ' A' 1059 ' ' VAL . 15.0 t -60.47 -36.47 78.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 0.796 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1063 ' ' ALA . . . . . 0.493 ' HA ' HG21 ' A' 1092 ' ' THR . . . -73.04 -52.88 12.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.369 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1064 ' ' GLU . . . . . 0.656 ' O ' HG22 ' A' 1073 ' ' VAL . 7.1 mt-10 -54.34 -45.92 72.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 110.334 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1065 ' ' ALA . . . . . 0.816 ' HB2' ' HB ' ' A' 1076 ' ' THR . . . -62.61 -22.89 66.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.41 1.069 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1066 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -122.95 34.29 5.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.936 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1067 ' ' SER . . . . . 0.431 ' N ' ' O ' ' A' 1063 ' ' ALA . 41.9 t -89.24 -147.98 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.451 1.094 . . . . 0.0 110.028 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1068 ' ' GLU . . . . . 0.417 ' N ' ' OG ' ' A' 1067 ' ' SER . 0.7 OUTLIER -120.43 -4.07 9.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.297 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1069 ' ' HIS . . . . . 0.427 ' HA ' ' HD3' ' A' 1070 ' ' PRO . 3.1 t60 -82.43 133.88 49.31 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.58 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1070 ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' 1069 ' ' HIS . 18.0 Cg_endo -75.04 -27.0 10.32 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.485 1.782 . . . . 0.0 110.947 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1071 ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' 1075 ' ' VAL . 1.0 OUTLIER -98.71 -27.61 13.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -65.99 -49.86 55.81 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1073 ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' 1065 ' ' ALA . 33.8 t -62.7 -37.13 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 109.334 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -67.58 -35.71 79.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1075 ' ' VAL . . . . . 0.811 HG21 HG21 ' A' 1039 ' ' VAL . 3.2 t -62.49 -42.02 94.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1076 ' ' THR . . . . . 0.816 ' HB ' ' HB2' ' A' 1065 ' ' ALA . 0.2 OUTLIER -70.06 -44.66 68.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.468 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.97 -48.1 81.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.232 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 84.2 t80 -61.93 -52.07 65.55 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 111.067 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1079 ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' 1083 ' ' LEU . 1.0 OUTLIER -58.97 -32.49 69.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.403 1.064 . . . . 0.0 108.321 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1080 ' ' LYS . . . . . 0.504 ' CG ' ' O ' ' A' 1085 ' ' THR . 0.0 OUTLIER -61.38 -46.5 89.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -63.2 -39.03 93.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.84 -20.87 48.59 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.459 1.1 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1083 ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' 1079 ' ' CYS . 5.7 mt -84.49 -23.41 29.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.3 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 76.49 25.49 65.43 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.549 1.155 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1085 ' ' THR . . . . . 0.504 ' O ' ' CG ' ' A' 1080 ' ' LYS . 2.2 p -135.95 120.19 17.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 110.369 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1086 ' ' GLU . . . . . 0.441 ' O ' ' O ' ' A' 1087 ' ' THR . 2.9 pm0 -44.59 -35.06 2.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.272 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.577 HG23 ' N ' ' A' 1088 ' ' LEU . 0.6 OUTLIER 47.55 -178.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.407 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1088 ' ' LEU . . . . . 0.791 HD13 ' O ' ' A' 1088 ' ' LEU . 0.5 OUTLIER 68.27 -0.04 2.31 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1089 ' ' GLY . . . . . 0.426 ' H ' ' C ' ' A' 1087 ' ' THR . . . -68.96 -14.3 67.83 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1090 ' ' TYR . . . . . 0.646 ' OH ' HG23 ' A' 1109 ' ' VAL . 2.8 m-85 -81.22 160.0 24.41 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.433 0.726 . . . . 0.0 110.997 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1091 ' ' CYS . . . . . 0.758 ' O ' ' HA ' ' A' 1106 ' ' VAL . 5.6 t -93.59 135.39 34.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 108.306 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1092 ' ' THR . . . . . 0.493 HG21 ' HA ' ' A' 1063 ' ' ALA . 54.9 p -118.2 163.33 16.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.37 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -165.1 81.85 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.277 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1094 ' ' PHE . . . . . 0.494 ' CD1' ' C ' ' A' 1094 ' ' PHE . 0.1 OUTLIER -74.24 171.91 12.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.47 1.106 . . . . 0.0 111.002 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 2.3 tt0 175.8 151.41 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -110.85 133.43 53.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.362 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1097 ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' 1098 ' ' PRO . 14.3 t -112.7 127.22 27.12 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1098 ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' 1097 ' ' VAL . 18.4 Cg_endo -74.94 142.06 27.6 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.545 1.813 . . . . 0.0 110.966 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 65.74 27.34 72.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 110.971 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1100 ' ' CYS . . . . . 0.547 ' HB3' ' CH2' ' A' 1153 ' ' TRP . 7.4 m -148.67 -67.86 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 155.76 -124.65 1.52 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . 0.407 ' CD1' ' HA2' ' A' 1149 ' ' GLY . 0.8 OUTLIER -130.2 160.64 41.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 0.787 . . . . 0.0 109.272 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -161.2 168.72 36.57 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1104 ' ' CYS . . . . . 0.469 ' CB ' ' HA ' ' A' 1094 ' ' PHE . 28.4 p -161.64 159.61 27.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1105 ' ' LYS . . . . . 0.457 ' HE3' HG21 ' A' 1143 ' ' THR . 20.2 ttpt -129.25 154.74 46.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1106 ' ' VAL . . . . . 0.758 ' HA ' ' O ' ' A' 1091 ' ' CYS . 4.0 p -140.61 141.68 31.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.583 1.177 . . . . 0.0 109.262 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1107 ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' 1091 ' ' CYS . 79.9 p -151.69 138.46 18.88 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.967 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1108 ' ' ASN . . . . . 0.533 ' CB ' ' HA ' ' A' 1090 ' ' TYR . 0.4 OUTLIER 162.72 -38.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1109 ' ' VAL . . . . . 0.649 ' O ' HD23 ' A' 1113 ' ' LEU . 5.8 p -48.95 -24.43 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.449 ' CD ' ' N ' ' A' 1111 ' ' GLY . 3.1 pp20? -65.48 -44.73 86.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . 0.449 ' N ' ' CD ' ' A' 1110 ' ' GLU . . . -75.48 -25.53 67.74 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1112 ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' 1112 ' ' ILE . 32.8 mm -66.27 -49.1 78.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.452 0.737 . . . . 0.0 109.288 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1113 ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' 1109 ' ' VAL . 1.0 OUTLIER -73.2 -36.95 66.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1114 ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' 1113 ' ' LEU . . . 67.96 -92.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.324 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 8.8 t-80 79.21 109.5 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.614 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 2.1 m 73.9 176.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.949 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 5.8 tt0 64.49 57.1 1.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.262 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.8 147.72 67.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.267 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 82.06 2.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.555 1.818 . . . . 0.0 111.01 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -169.09 -42.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1121 ' ' SER . . . . . 0.465 ' O ' ' HB2' ' A' 1122 ' ' ALA . 52.4 p -58.95 134.54 57.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.998 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1122 ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' 1121 ' ' SER . . . 177.59 90.88 0.13 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 119.63 5.72 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.516 1.798 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . 58.68 164.43 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 109.279 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1125 ' ' SER . . . . . . . . . . . . . 49.5 m -134.67 -74.07 0.47 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 1.169 . . . . 0.0 110.061 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1126 ' ' HIS . . . . . . . . . . . . . 19.8 m80 -112.5 -31.69 6.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.587 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 8.5 mt -61.78 -14.79 35.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1128 ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -39.96 129.69 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.216 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1129 ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' 1130 ' ' ALA . 1.3 mt-10 -121.31 -55.91 1.93 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.347 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1130 ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' 1129 ' ' GLU . . . 179.02 132.61 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . 124.14 116.85 2.24 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 63.3 p -177.37 158.7 1.47 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 110.027 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1133 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -105.58 154.7 38.99 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.09 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1134 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -43.42 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.505 1.792 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . . . . . . . . . . . 64.85 98.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.23 -59.27 2.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.63 161.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.4 123.71 13.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.2 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . -167.17 73.12 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1140 ' ' VAL . . . . . 0.77 HG23 ' HD2' ' A' 1141 ' ' PRO . 1.8 p -57.77 144.55 73.57 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1141 ' ' PRO . . . . . 0.77 ' HD2' HG23 ' A' 1140 ' ' VAL . 18.4 Cg_endo -74.96 138.08 22.65 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.541 1.811 . . . . 0.0 111.057 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -86.9 113.14 22.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 110.258 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1143 ' ' THR . . . . . 0.457 HG21 ' HE3' ' A' 1105 ' ' LYS . 1.4 m -121.5 134.11 55.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.566 1.166 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1144 ' ' PHE . . . . . 0.646 ' CE2' HG11 ' A' 1109 ' ' VAL . 31.5 m-85 -107.2 141.44 38.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 41.6 p -119.67 127.79 53.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.024 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1146 ' ' VAL . . . . . 0.818 HG22 HD12 ' A' 1184 ' ' ILE . 53.2 t -114.15 139.38 40.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1147 ' ' LEU . . . . . 0.794 HD13 HD21 ' A' 1157 ' ' ASN . 13.4 mt -107.82 142.2 38.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1148 ' ' ILE . . . . . 0.487 HG23 HG22 ' A' 1182 ' ' VAL . 0.5 OUTLIER -129.5 133.63 64.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.418 1.074 . . . . 0.0 109.311 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1149 ' ' GLY . . . . . 0.407 ' HA2' ' CD1' ' A' 1102 ' ' ILE . . . 172.75 177.03 41.8 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 5.4 m120 -68.53 176.6 2.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 0.75 . . . . 0.0 109.279 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1151 ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -64.38 -27.28 68.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.367 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1152 ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -67.35 -43.55 81.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1153 ' ' TRP . . . . . 0.547 ' CH2' ' HB3' ' A' 1100 ' ' CYS . 11.8 t-105 -58.68 -53.81 54.12 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1154 ' ' LEU . . . . . 1.019 HD11 ' HB2' ' A' 1183 ' ' ALA . 2.8 mm? -60.32 -40.48 90.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.351 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1155 ' ' ARG . . . . . 0.541 ' NH2' HD12 ' A' 1159 ' ' LEU . 0.0 OUTLIER -56.29 -50.95 69.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 110.233 -179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -72.11 -21.1 61.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1157 ' ' ASN . . . . . 0.794 HD21 HD13 ' A' 1147 ' ' LEU . 15.1 t-20 -63.32 -47.41 82.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 161.09 56.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.541 HD12 ' NH2' ' A' 1155 ' ' ARG . 0.5 OUTLIER -124.0 -163.88 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 0.771 . . . . 0.0 109.29 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1160 ' ' THR . . . . . 0.641 HG22 ' H ' ' A' 1161 ' ' ILE . 2.5 m -106.81 -166.65 1.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.384 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1161 ' ' ILE . . . . . 0.641 ' H ' HG22 ' A' 1160 ' ' THR . 3.0 mt 62.86 155.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1162 ' ' SER . . . . . 0.451 ' HB3' ' CG2' ' A' 1165 ' ' VAL . 32.5 t -70.97 144.77 50.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' 1167 ' ' ASP . 3.7 m -65.13 -37.04 86.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 6.5 t0 -70.73 -42.79 70.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 109.277 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1165 ' ' VAL . . . . . 0.451 ' CG2' ' HB3' ' A' 1162 ' ' SER . 69.0 t -62.93 -49.6 82.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1166 ' ' SER . . . . . 0.487 ' CB ' ' HG2' ' A' 1155 ' ' ARG . 5.6 t -68.8 -32.52 72.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.43 1.081 . . . . 0.0 110.034 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1167 ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' 1163 ' ' SER . 2.9 t70 -64.99 -43.91 91.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -66.93 -38.54 86.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.343 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 2.4 tpt -65.07 -50.79 64.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1170 ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -59.94 -45.59 92.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.434 1.084 . . . . 0.0 110.428 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1171 ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.38 -39.56 92.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1172 ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' A' 1175 ' ' LYS . 3.8 t-160 -53.95 -45.87 71.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.561 1.163 . . . . 0.0 109.624 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1173 ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' 1177 ' ' GLN . 1.9 tt0 -60.87 -36.69 79.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 4.5 mtp -64.4 -10.99 28.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1175 ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' 1172 ' ' HIS . 26.7 mttt -89.8 11.49 19.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -156.34 -56.76 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.427 1.08 . . . . 0.0 110.98 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1177 ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' 1173 ' ' GLU . 1.7 mt-30 -125.76 174.46 8.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 0.724 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1178 ' ' THR . . . . . . . . . . . . . 1.1 m -132.0 118.47 19.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 110.387 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -134.28 135.63 42.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1180 ' ' ILE . . . . . 0.555 HG13 HG22 ' A' 1192 ' ' ILE . 13.6 pt -112.56 146.85 16.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.429 1.081 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1181 ' ' LEU . . . . . . . . . . . . . 6.4 mp -99.38 138.56 36.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.625 1.203 . . . . 0.0 109.26 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1182 ' ' VAL . . . . . 0.487 HG22 HG23 ' A' 1148 ' ' ILE . 0.9 OUTLIER -118.27 120.39 64.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1183 ' ' ALA . . . . . 1.019 ' HB2' HD11 ' A' 1154 ' ' LEU . . . -115.97 150.51 37.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1184 ' ' ILE . . . . . 0.818 HD12 HG22 ' A' 1146 ' ' VAL . 1.5 tp -109.32 111.27 35.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 6.0 t0 56.29 40.55 29.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.33 15.01 76.97 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.503 1.127 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1187 ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' 1184 ' ' ILE . 2.2 t -115.98 154.12 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 0.771 . . . . 0.0 109.277 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1188 ' ' LEU . . . . . 0.552 ' CB ' ' O ' ' A' 1045 ' ' LEU . 0.4 OUTLIER -59.94 141.84 54.81 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.585 1.178 . . . . 0.0 109.305 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1189 ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' 1046 ' ' GLY . 2.1 t -144.71 -64.59 0.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 108.258 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1190 ' ' GLY . . . . . 0.548 ' HA2' ' CB ' ' A' 1045 ' ' LEU . . . 177.88 159.02 22.0 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.459 1.099 . . . . 0.0 111.068 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1191 ' ' MET . . . . . 0.479 ' SD ' HD13 ' A' 1045 ' ' LEU . 20.8 ptt? -127.52 148.64 50.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 0.755 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1192 ' ' ILE . . . . . 0.555 HG22 HG13 ' A' 1180 ' ' ILE . 0.6 OUTLIER -107.93 133.97 51.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -106.89 128.43 54.29 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.445 1.091 . . . . 0.0 109.235 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1194 ' ' ILE . . . . . 0.433 ' CD1' ' HA ' ' A' 1039 ' ' VAL . 1.4 mp -111.97 130.2 66.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.369 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . 0.685 ' HB3' ' HB2' ' A' 1040 ' ' MET . . . -139.37 109.94 6.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.234 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1196 ' ' ASP . . . . . 0.511 ' OXT' ' O ' ' A' 1195 ' ' ALA . 3.9 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . 121.29 169.84 13.82 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.46 1.1 . . . . 0.0 110.953 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1034 ' ' HIS . . . . . . . . . . . . . 1.8 t60 -130.82 110.4 11.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.574 0.808 . . . . 0.0 109.58 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 2.3 ttt -176.97 129.78 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.162 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1036 ' ' VAL . . . . . . . . . . . . . 34.7 m -125.39 124.28 25.12 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1037 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -165.68 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.504 1.791 . . . . 0.0 110.995 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1038 ' ' ARG . . . . . . . . . . . . . 13.9 mmt-85 -108.79 164.16 12.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1039 ' ' VAL . . . . . 0.445 HG23 HG23 ' A' 1192 ' ' ILE . 3.7 p -68.13 136.75 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1040 ' ' MET . . . . . 0.792 ' HG3' ' HB3' ' A' 1195 ' ' ALA . 0.2 OUTLIER -96.06 -42.16 8.38 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.494 1.121 . . . . 0.0 111.029 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1041 ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -167.92 157.14 9.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 3.0 t -119.72 137.79 52.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 109.239 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.73 138.75 42.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . 0.428 ' O ' HD12 ' A' 1045 ' ' LEU . 4.5 mt -80.28 131.7 35.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1045 ' ' LEU . . . . . 0.669 ' O ' HD23 ' A' 1188 ' ' LEU . 0.2 OUTLIER -144.98 25.85 1.39 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.075 . . . . 0.0 109.3 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -127.67 117.2 2.57 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 1.1 t0 -70.47 116.72 11.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.316 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1048 ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' 1051 ' ' LEU . 14.1 t -93.22 33.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.263 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -92.6 -10.05 38.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1050 ' ' THR . . . . . . . . . . . . . 2.0 m -127.77 -36.67 2.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.421 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1051 ' ' LEU . . . . . 0.707 ' O ' HG13 ' A' 1048 ' ' VAL . 1.7 mt -113.82 149.49 41.89 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . 0.444 ' HG2' ' CB ' ' A' 1055 ' ' LYS . 18.5 Cg_endo -74.93 138.27 22.99 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.461 1.769 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1053 ' ' LEU . . . . . 0.652 ' HB2' HG21 ' A' 1048 ' ' VAL . 10.8 tp -73.85 -40.43 63.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.367 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 36.8 mtt180 -59.6 -48.26 82.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.085 . . . . 0.0 110.364 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1055 ' ' LYS . . . . . 0.444 ' CB ' ' HG2' ' A' 1052 ' ' PRO . 0.0 OUTLIER -64.1 -46.08 85.8 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' 1060 ' ' VAL . 2.5 t -57.93 -40.5 76.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.509 1.13 . . . . 0.0 109.288 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1057 ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' 1057 ' ' LEU . 0.2 OUTLIER -64.93 -35.67 81.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -68.68 -46.57 68.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . 0.63 HG22 HG11 ' A' 1106 ' ' VAL . 0.4 OUTLIER -61.48 -46.14 97.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.384 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1060 ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' 1056 ' ' VAL . 79.9 t -67.52 -35.57 73.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1061 ' ' GLY . . . . . 0.648 ' HA2' HG22 ' A' 1076 ' ' THR . . . -61.87 -47.1 92.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.553 1.158 . . . . 0.0 111.07 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1062 ' ' THR . . . . . 0.566 ' CG2' ' HB2' ' A' 1090 ' ' TYR . 11.1 m -75.53 -33.28 60.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 110.35 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1063 ' ' ALA . . . . . . . . . . . . . . . -56.81 -54.22 48.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1064 ' ' GLU . . . . . 0.767 ' O ' HG22 ' A' 1073 ' ' VAL . 1.8 mt-10 -75.43 -46.17 34.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.357 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1065 ' ' ALA . . . . . 0.525 ' CB ' ' O ' ' A' 1061 ' ' GLY . . . -55.71 -23.06 26.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1066 ' ' SER . . . . . . . . . . . . . 7.2 t -113.27 28.21 8.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.013 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1067 ' ' SER . . . . . 0.557 ' HA ' ' CZ ' ' A' 1094 ' ' PHE . 82.8 p -103.84 159.61 15.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.987 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1068 ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -83.5 34.69 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.437 1.086 . . . . 0.0 110.314 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1069 ' ' HIS . . . . . 0.438 ' CD2' ' HD2' ' A' 1070 ' ' PRO . 0.5 OUTLIER -113.8 123.5 32.8 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.591 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1070 ' ' PRO . . . . . 0.438 ' HD2' ' CD2' ' A' 1069 ' ' HIS . 18.5 Cg_endo -74.93 4.11 4.98 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.517 1.799 . . . . 0.0 111.015 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1071 ' ' LEU . . . . . 0.51 HD12 HG23 ' A' 1075 ' ' VAL . 0.1 OUTLIER -122.37 -44.91 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.275 -179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . 0.413 ' O ' ' OG1' ' A' 1076 ' ' THR . . . -63.69 -39.48 97.56 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.52 1.138 . . . . 0.0 111.03 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1073 ' ' VAL . . . . . 0.767 HG22 ' O ' ' A' 1064 ' ' GLU . 92.8 t -66.97 -44.46 88.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.451 0.736 . . . . 0.0 109.295 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1074 ' ' ALA . . . . . 0.402 ' O ' ' HB2' ' A' 1078 ' ' TYR . . . -66.28 -35.51 80.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1075 ' ' VAL . . . . . 0.51 HG23 HD12 ' A' 1071 ' ' LEU . 2.5 t -60.9 -48.56 88.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.478 1.111 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1076 ' ' THR . . . . . 0.648 HG22 ' HA2' ' A' 1061 ' ' GLY . 0.3 OUTLIER -70.21 -44.18 69.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.37 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.61 -41.68 77.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1078 ' ' TYR . . . . . 0.402 ' HB2' ' O ' ' A' 1074 ' ' ALA . 2.5 t80 -66.74 -46.18 76.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -58.99 -36.67 75.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.458 1.099 . . . . 0.0 108.234 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1080 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -40.95 85.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.61 -40.94 98.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.237 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -78.32 -21.37 49.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.245 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 9.5 mt -83.97 -23.14 31.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 79.38 31.73 40.74 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.561 1.163 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1085 ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.96 122.28 19.36 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 0.792 . . . . 0.0 110.342 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -97.66 13.39 30.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' 1088 ' ' LEU . 25.6 m -53.58 146.25 13.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.416 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1088 ' ' LEU . . . . . 0.459 ' CB ' ' O ' ' A' 1087 ' ' THR . 0.3 OUTLIER 166.45 156.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 134.82 36.42 0.22 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1090 ' ' TYR . . . . . 0.645 ' OH ' HG23 ' A' 1109 ' ' VAL . 2.8 m-85 -93.68 161.67 14.25 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.74 . . . . 0.0 110.968 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1091 ' ' CYS . . . . . 0.614 ' O ' ' HA ' ' A' 1106 ' ' VAL . 16.5 t -95.31 113.39 25.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 108.287 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1092 ' ' THR . . . . . 0.536 ' HB ' ' CE1' ' A' 1094 ' ' PHE . 2.7 p -95.71 163.33 13.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -154.99 74.37 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1094 ' ' PHE . . . . . 0.557 ' CZ ' ' HA ' ' A' 1067 ' ' SER . 17.0 m-85 -77.18 133.75 38.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.436 1.085 . . . . 0.0 111.03 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -154.27 132.77 12.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.345 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -90.72 128.23 36.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 9.7 m -114.02 131.43 23.17 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 109.354 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 152.16 40.1 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.449 1.763 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 62.7 20.86 62.29 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.544 1.153 . . . . 0.0 110.95 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1100 ' ' CYS . . . . . 0.582 ' SG ' ' CZ3' ' A' 1153 ' ' TRP . 1.6 m -144.48 -74.63 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 159.65 -130.35 2.42 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . . . . . . . . . 6.3 pt -126.21 135.86 62.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.461 0.742 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -133.01 169.58 22.5 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 111.059 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1104 ' ' CYS . . . . . . . . . . . . . 3.5 p -162.88 139.07 7.24 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1105 ' ' LYS . . . . . 0.476 ' O ' ' HA ' ' A' 1092 ' ' THR . 3.6 mttt -108.23 154.33 21.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.593 1.183 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1106 ' ' VAL . . . . . 0.63 HG11 HG22 ' A' 1059 ' ' VAL . 5.8 p -141.78 130.18 22.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.479 1.112 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1107 ' ' SER . . . . . 0.426 ' O ' ' CB ' ' A' 1108 ' ' ASN . 24.7 p -150.1 135.79 18.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.993 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1108 ' ' ASN . . . . . 0.533 ' CB ' ' HA ' ' A' 1090 ' ' TYR . 0.2 OUTLIER 161.48 -27.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.311 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1109 ' ' VAL . . . . . 0.645 HG23 ' OH ' ' A' 1090 ' ' TYR . 7.6 p -48.55 -25.23 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.68 -45.68 85.66 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 110.266 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -75.81 -32.53 53.46 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1112 ' ' ILE . . . . . 0.419 ' O ' ' CE1' ' A' 1115 ' ' HIS . 44.8 mm -67.88 -34.27 66.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.458 0.74 . . . . 0.0 109.292 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1113 ' ' LEU . . . . . 0.765 ' C ' HD12 ' A' 1113 ' ' LEU . 0.3 OUTLIER -85.28 -36.04 21.13 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1114 ' ' ALA . . . . . 0.411 ' N ' HD12 ' A' 1113 ' ' LEU . . . -118.55 117.75 29.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1115 ' ' HIS . . . . . 0.419 ' CE1' ' O ' ' A' 1112 ' ' ILE . 0.7 OUTLIER -177.82 -176.5 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.628 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.2 179.02 4.08 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.432 1.082 . . . . 0.0 109.999 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -140.53 65.57 1.4 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 110.264 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.49 120.12 79.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 119.51 5.7 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.483 1.781 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 68.14 123.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 1.151 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 17.0 p -94.88 -96.23 0.17 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.572 1.17 . . . . 0.0 110.033 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1122 ' ' ALA . . . . . 0.671 ' HB1' HD13 ' A' 1127 ' ' LEU . . . -158.15 70.2 3.95 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.88 118.07 5.15 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.524 1.802 . . . . 0.0 111.061 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1124 ' ' ALA . . . . . 0.553 ' CB ' HD12 ' A' 1127 ' ' LEU . . . -163.97 -147.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1125 ' ' SER . . . . . 0.406 ' O ' ' CB ' ' A' 1126 ' ' HIS . 45.7 m -102.69 61.08 0.81 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1126 ' ' HIS . . . . . 0.406 ' CB ' ' O ' ' A' 1125 ' ' SER . 8.1 t60 80.39 53.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.617 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.671 HD13 ' HB1' ' A' 1122 ' ' ALA . 0.3 OUTLIER -60.72 -15.15 26.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1128 ' ' ASN . . . . . . . . . . . . . 34.5 t30 -58.89 90.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.25 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -132.73 32.41 3.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.329 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . -147.75 -167.79 2.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . 158.01 86.16 0.06 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 110.992 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 1.8 t -175.29 122.57 0.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 0.771 . . . . 0.0 110.015 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1133 ' ' LEU . . . . . . . . . . . . . 4.5 mp -124.8 155.41 70.08 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.566 1.166 . . . . 0.0 109.255 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1134 ' ' PRO . . . . . 0.405 ' O ' ' HB3' ' A' 1135 ' ' ALA . 18.2 Cg_endo -75.11 -58.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.532 1.806 . . . . 0.0 110.98 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' 1134 ' ' PRO . . . 66.37 79.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -96.03 -60.79 1.56 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.07 . . . . 0.0 110.256 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.75 157.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.331 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -133.45 106.18 7.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' 1140 ' ' VAL . . . -156.62 67.48 0.56 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.416 1.072 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1140 ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' 1139 ' ' ALA . 0.2 OUTLIER -37.77 134.62 0.81 Allowed Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.108 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1141 ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' 1140 ' ' VAL . 18.3 Cg_endo -75.01 144.04 29.75 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.567 1.825 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.14 141.76 32.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1143 ' ' THR . . . . . . . . . . . . . 8.5 t -121.38 135.51 55.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.405 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -105.25 139.7 39.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . . . . . . . . . 15.9 t -119.72 130.66 55.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 0.0 110.019 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1146 ' ' VAL . . . . . 0.688 HG22 HD12 ' A' 1184 ' ' ILE . 57.8 t -120.34 128.7 76.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1147 ' ' LEU . . . . . 0.451 ' O ' HD21 ' A' 1154 ' ' LEU . 1.1 mp -108.05 120.12 41.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.588 1.18 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1148 ' ' ILE . . . . . 1.029 HG22 HG13 ' A' 1182 ' ' VAL . 0.1 OUTLIER -120.58 157.39 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.589 1.181 . . . . 0.0 109.277 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 166.16 -154.63 25.34 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.584 1.178 . . . . 0.0 110.965 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 5.4 m120 -68.78 142.88 54.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 0.761 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1151 ' ' ARG . . . . . 0.474 ' O ' ' CG ' ' A' 1155 ' ' ARG . 3.1 mtm180 -54.69 -27.3 39.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1152 ' ' GLU . . . . . 0.468 ' CB ' ' HA ' ' A' 1167 ' ' ASP . 0.5 OUTLIER -70.03 -38.89 76.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.236 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1153 ' ' TRP . . . . . 0.582 ' CZ3' ' SG ' ' A' 1100 ' ' CYS . 0.1 OUTLIER -74.03 -52.32 13.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 107.988 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1154 ' ' LEU . . . . . 1.036 HD11 ' HB2' ' A' 1183 ' ' ALA . 0.1 OUTLIER -55.97 -47.14 78.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1155 ' ' ARG . . . . . 0.493 ' HB3' ' CB ' ' A' 1160 ' ' THR . 0.9 OUTLIER -62.29 -50.32 72.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.292 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -64.94 -16.42 63.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 43.3 t30 -76.52 -66.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1158 ' ' GLY . . . . . 0.993 ' O ' HD23 ' A' 1159 ' ' LEU . . . -63.4 -67.73 1.95 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.488 1.118 . . . . 0.0 111.072 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.993 HD23 ' O ' ' A' 1158 ' ' GLY . 0.0 OUTLIER 177.18 122.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1160 ' ' THR . . . . . 0.604 HG22 ' H ' ' A' 1161 ' ' ILE . 62.2 m -162.69 177.45 9.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 110.364 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1161 ' ' ILE . . . . . 0.724 HG23 ' N ' ' A' 1162 ' ' SER . 0.4 OUTLIER -59.62 -153.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.323 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1162 ' ' SER . . . . . 0.724 ' N ' HG23 ' A' 1161 ' ' ILE . 47.9 t -66.67 143.39 57.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.048 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' 1167 ' ' ASP . 0.4 OUTLIER -66.28 -32.7 74.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 110.028 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 2.4 t0 -70.75 -39.24 73.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1165 ' ' VAL . . . . . . . . . . . . . 19.3 t -69.95 -49.34 57.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.443 1.09 . . . . 0.0 109.259 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1166 ' ' SER . . . . . . . . . . . . . 4.0 t -67.46 -33.28 74.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1167 ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' 1163 ' ' SER . 1.1 t70 -66.32 -42.7 87.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -66.88 -36.55 82.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 5.7 mmt -65.19 -48.74 72.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.147 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1170 ' ' THR . . . . . . . . . . . . . 3.0 m -66.52 -45.66 78.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 110.405 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1171 ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.8 OUTLIER -58.28 -41.63 84.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.38 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -59.96 -47.21 86.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.586 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1173 ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -65.71 -37.73 87.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.31 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 8.0 ttt -66.92 -9.35 37.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.968 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 -10.91 44.68 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -119.17 -57.37 0.26 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.404 1.065 . . . . 0.0 110.987 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1177 ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -126.45 174.88 8.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1178 ' ' THR . . . . . . . . . . . . . 78.5 m -103.2 123.1 46.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 110.391 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1179 ' ' ALA . . . . . 0.467 ' HB1' ' CZ ' ' A' 1151 ' ' ARG . . . -130.93 128.07 39.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1180 ' ' ILE . . . . . . . . . . . . . 30.6 pt -134.09 129.22 53.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1181 ' ' LEU . . . . . 0.608 HD22 ' CB ' ' A' 1191 ' ' MET . 0.0 OUTLIER -101.75 133.84 45.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1182 ' ' VAL . . . . . 1.029 HG13 HG22 ' A' 1148 ' ' ILE . 60.9 t -119.69 120.15 62.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.443 1.089 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1183 ' ' ALA . . . . . 1.036 ' HB2' HD11 ' A' 1154 ' ' LEU . . . -116.5 151.6 35.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1184 ' ' ILE . . . . . 0.688 HD12 HG22 ' A' 1146 ' ' VAL . 1.2 tt -108.63 113.56 44.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1185 ' ' ASP . . . . . . . . . . . . . 1.6 t70 55.74 40.49 30.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.14 14.67 76.5 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1187 ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' 1184 ' ' ILE . 2.3 t -114.12 153.74 15.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.492 0.76 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1188 ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' 1045 ' ' LEU . 0.3 OUTLIER -60.84 143.26 55.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1189 ' ' CYS . . . . . 0.593 ' O ' ' N ' ' A' 1046 ' ' GLY . 2.8 t -145.39 -62.63 0.34 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 108.308 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1190 ' ' GLY . . . . . 0.476 ' O ' ' HB ' ' A' 1182 ' ' VAL . . . 177.09 158.67 20.87 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1191 ' ' MET . . . . . 0.608 ' CB ' HD22 ' A' 1181 ' ' LEU . 0.2 OUTLIER -124.55 148.14 47.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 0.774 . . . . 0.0 110.997 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1192 ' ' ILE . . . . . 0.445 HG23 HG23 ' A' 1039 ' ' VAL . 19.5 mt -109.01 134.4 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1193 ' ' ALA . . . . . . . . . . . . . . . -118.58 125.66 50.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1194 ' ' ILE . . . . . 0.433 ' CG1' ' HA ' ' A' 1039 ' ' VAL . 4.1 mt -112.85 137.32 46.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . 0.792 ' HB3' ' HG3' ' A' 1040 ' ' MET . . . -141.1 106.41 5.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 22.2 t0 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.299 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . -85.55 -151.5 16.22 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1034 ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -112.89 64.56 0.64 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 0.75 . . . . 0.0 109.579 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.44 100.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 111.003 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1036 ' ' VAL . . . . . 0.562 HG23 HD13 ' A' 1071 ' ' LEU . 29.7 m -117.8 145.15 35.9 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.456 1.098 . . . . 0.0 109.362 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1037 ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' 1036 ' ' VAL . 18.5 Cg_endo -74.99 165.82 30.51 Favored 'Trans proline' 0 C--N 1.359 1.079 0 O-C-N 124.503 1.791 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1038 ' ' ARG . . . . . 0.876 ' HA ' HD21 ' A' 1071 ' ' LEU . 0.2 OUTLIER -108.8 163.45 13.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.28 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1039 ' ' VAL . . . . . 0.463 ' CG1' HG21 ' A' 1075 ' ' VAL . 4.9 m -67.73 135.92 27.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1040 ' ' MET . . . . . 0.49 ' HB2' ' HB3' ' A' 1195 ' ' ALA . 8.1 tpt -94.34 -42.41 8.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1041 ' ' ARG . . . . . 0.501 ' HG2' ' HB3' ' A' 1193 ' ' ALA . 0.0 OUTLIER -168.63 156.91 8.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -116.77 137.21 51.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.233 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1043 ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.47 130.34 54.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.24 110.86 19.91 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.504 1.128 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1045 ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' 1189 ' ' CYS . 34.4 tp -142.42 84.86 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.223 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . 0.404 ' HA2' ' C ' ' A' 1188 ' ' LEU . . . -141.74 -141.99 4.02 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.439 1.087 . . . . 0.0 110.967 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 3.9 t0 -149.76 144.99 26.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 0.755 . . . . 0.0 109.373 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1048 ' ' VAL . . . . . . . . . . . . . 2.3 t -131.02 33.44 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.298 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1049 ' ' ALA . . . . . 0.453 ' O ' ' CB ' ' A' 1050 ' ' THR . . . -84.36 6.7 22.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1050 ' ' THR . . . . . 0.453 ' CB ' ' O ' ' A' 1049 ' ' ALA . 0.9 OUTLIER 169.29 -30.79 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.388 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1051 ' ' LEU . . . . . . . . . . . . . 23.1 mt -82.06 125.93 76.07 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.293 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 132.61 15.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.459 1.768 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 22.1 tp -77.18 -39.29 49.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 2.5 mmt-85 -64.55 -47.95 76.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1055 ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' 1058 ' ' ALA . 0.2 OUTLIER -64.92 -47.39 77.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.377 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.64 HG13 HD13 ' A' 1184 ' ' ILE . 3.3 t -58.15 -43.49 85.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1057 ' ' LEU . . . . . 0.433 HD23 HG11 ' A' 1060 ' ' VAL . 9.5 mt -64.3 -33.93 76.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1058 ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' 1055 ' ' LYS . . . -62.47 -47.02 85.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . 0.884 HG13 ' CG1' ' A' 1106 ' ' VAL . 20.1 t -69.19 -47.89 71.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1060 ' ' VAL . . . . . 0.433 HG11 HD23 ' A' 1057 ' ' LEU . 0.4 OUTLIER -56.53 -38.82 58.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1061 ' ' GLY . . . . . . . . . . . . . . . -73.42 -36.45 54.92 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.45 1.094 . . . . 0.0 111.001 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1062 ' ' THR . . . . . 0.61 HG21 ' CB ' ' A' 1090 ' ' TYR . 0.5 OUTLIER -60.24 -40.64 90.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 0.81 . . . . 0.0 110.361 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1063 ' ' ALA . . . . . 0.918 ' HB2' HG21 ' A' 1106 ' ' VAL . . . -83.83 -43.21 15.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1064 ' ' GLU . . . . . 0.503 ' HB3' ' CB ' ' A' 1076 ' ' THR . 27.4 mt-10 -54.56 -43.61 72.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1065 ' ' ALA . . . . . 0.726 ' HB2' HG22 ' A' 1076 ' ' THR . . . -75.03 -22.37 58.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.407 1.067 . . . . 0.0 109.335 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1066 ' ' SER . . . . . . . . . . . . . 25.1 t -112.8 31.62 6.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 109.998 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1067 ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' 1063 ' ' ALA . 5.3 m -71.24 -147.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1068 ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -137.8 11.16 2.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1069 ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -112.68 127.41 26.87 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.6 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1070 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 54.68 3.7 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.489 1.784 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1071 ' ' LEU . . . . . 0.876 HD21 ' HA ' ' A' 1038 ' ' ARG . 0.7 OUTLIER -167.03 -52.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.599 1.187 . . . . 0.0 109.331 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . . . . . . . . . . . -59.48 -32.52 73.28 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.573 1.17 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1073 ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' 1065 ' ' ALA . 38.0 t -69.49 -37.95 75.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 109.252 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -68.41 -35.51 77.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.429 1.081 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1075 ' ' VAL . . . . . 0.463 HG21 ' CG1' ' A' 1039 ' ' VAL . 74.5 t -63.78 -54.64 29.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1076 ' ' THR . . . . . 0.726 HG22 ' HB2' ' A' 1065 ' ' ALA . 0.6 OUTLIER -64.78 -41.92 95.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.178 . . . . 0.0 110.364 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.69 -46.16 84.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.338 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 64.5 t80 -62.61 -40.12 95.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1079 ' ' CYS . . . . . 0.782 ' O ' HD12 ' A' 1083 ' ' LEU . 0.1 OUTLIER -63.54 -34.14 77.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 108.24 -179.889 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1080 ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' 1085 ' ' THR . 0.0 OUTLIER -66.91 -43.76 82.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.25 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1081 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -42.16 98.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.585 1.178 . . . . 0.0 110.326 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.95 -19.69 51.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1083 ' ' LEU . . . . . 0.782 HD12 ' O ' ' A' 1079 ' ' CYS . 2.1 mt -82.72 -23.31 34.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.57 1.169 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 69.97 42.18 69.61 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1085 ' ' THR . . . . . 0.403 ' O ' ' HG2' ' A' 1080 ' ' LYS . 0.2 OUTLIER -134.92 121.8 21.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 0.779 . . . . 0.0 110.436 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -91.34 17.24 8.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.421 ' O ' ' CG ' ' A' 1088 ' ' LEU . 1.9 t -55.09 136.06 48.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 110.355 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1088 ' ' LEU . . . . . 0.421 ' CG ' ' O ' ' A' 1087 ' ' THR . 0.3 OUTLIER 169.55 160.68 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 109.357 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1089 ' ' GLY . . . . . . . . . . . . . . . 116.5 27.95 2.69 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1090 ' ' TYR . . . . . 0.632 ' OH ' HG23 ' A' 1109 ' ' VAL . 6.1 m-85 -93.32 161.47 14.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 0.751 . . . . 0.0 111.014 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1091 ' ' CYS . . . . . 0.591 ' O ' ' HA ' ' A' 1106 ' ' VAL . 4.3 t -94.79 113.32 25.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 108.301 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1092 ' ' THR . . . . . 0.644 HG22 HG22 ' A' 1106 ' ' VAL . 29.7 p -95.65 163.02 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1093 ' ' ASP . . . . . . . . . . . . . 5.7 t0 -158.2 74.66 0.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1094 ' ' PHE . . . . . 0.412 ' HA ' ' CB ' ' A' 1104 ' ' CYS . 1.6 p90 -74.64 160.65 30.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -178.76 129.83 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.405 1.065 . . . . 0.0 110.314 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -95.08 132.5 39.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 3.0 p -115.21 129.24 25.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.92 148.12 35.22 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.445 1.761 . . . . 0.0 111.023 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 61.13 29.32 70.78 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.473 1.108 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1100 ' ' CYS . . . . . . . . . . . . . 1.2 m -151.16 -70.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.303 -0.999 . . . . 0.0 108.303 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 158.46 -128.93 2.16 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.409 1.068 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' 1148 ' ' ILE . 0.2 OUTLIER -130.09 154.1 39.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.742 . . . . 0.0 109.31 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . . . . . . . . . . . -151.66 159.76 28.43 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1104 ' ' CYS . . . . . 0.412 ' CB ' ' HA ' ' A' 1094 ' ' PHE . 36.0 t -160.84 151.71 18.56 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1105 ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' 1092 ' ' THR . 24.4 mttt -120.04 153.65 35.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.373 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1106 ' ' VAL . . . . . 0.918 HG21 ' HB2' ' A' 1063 ' ' ALA . 7.5 t -144.35 130.34 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1107 ' ' SER . . . . . . . . . . . . . 24.9 p -149.73 142.24 24.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.417 1.073 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1108 ' ' ASN . . . . . 0.53 ' CB ' ' HA ' ' A' 1090 ' ' TYR . 11.9 t-20 168.51 -37.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.485 1.116 . . . . 0.0 109.249 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1109 ' ' VAL . . . . . 0.693 ' O ' HD23 ' A' 1113 ' ' LEU . 0.4 OUTLIER -48.24 -25.84 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' 1114 ' ' ALA . 14.2 tm-20 -61.6 -46.84 88.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -75.59 -26.14 66.05 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1112 ' ' ILE . . . . . . . . . . . . . 34.0 mm -62.56 -49.5 83.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.479 0.752 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1113 ' ' LEU . . . . . 0.693 HD23 ' O ' ' A' 1109 ' ' VAL . 0.7 OUTLIER -73.56 -39.57 64.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1114 ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' 1110 ' ' GLU . . . -163.74 122.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -98.75 159.23 15.1 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 109.563 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 67.5 p -173.34 154.05 2.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 109.938 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -178.17 77.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.78 147.56 41.33 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 162.08 37.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.88 -68.62 0.4 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 3.6 t -148.28 -95.47 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1122 ' ' ALA . . . . . . . . . . . . . . . -166.51 127.02 1.23 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 114.93 4.14 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.509 1.794 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . -174.76 92.27 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1125 ' ' SER . . . . . . . . . . . . . 16.9 m 64.39 151.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.566 1.166 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1126 ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -172.7 57.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.59 1.181 . . . . 0.0 109.54 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 19.8 mt -64.93 -13.11 56.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 109.286 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1128 ' ' ASN . . . . . . . . . . . . . 47.8 t30 -47.77 141.5 5.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1129 ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -49.74 171.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1130 ' ' ALA . . . . . . . . . . . . . . . -41.36 -61.5 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . 72.41 116.4 0.06 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 18.1 p -45.23 169.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 0.792 . . . . 0.0 109.989 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1133 ' ' LEU . . . . . 0.433 ' HA ' ' HD3' ' A' 1134 ' ' PRO . 0.2 OUTLIER -67.14 142.4 97.02 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1134 ' ' PRO . . . . . 0.679 ' O ' ' HB3' ' A' 1135 ' ' ALA . 18.2 Cg_endo -75.05 -57.23 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.78 . . . . 0.0 110.973 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . 0.679 ' HB3' ' O ' ' A' 1134 ' ' PRO . . . 83.4 -62.86 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1136 ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 43.73 -94.65 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 110.33 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1137 ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' 1135 ' ' ALA . 4.9 tttt 75.39 107.91 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -139.72 131.67 27.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . . . . . . . . . . . 66.59 97.47 0.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1140 ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -102.51 135.2 19.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1141 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 157.52 42.75 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.463 1.77 . . . . 0.0 111.026 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -64.14 117.65 7.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 110.325 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1143 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.47 134.33 55.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.39 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -106.4 132.49 52.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' 1185 ' ' ASP . 96.6 p -115.76 124.38 50.63 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 109.967 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1146 ' ' VAL . . . . . 0.826 HG23 ' O ' ' A' 1183 ' ' ALA . 4.1 p -113.27 138.84 41.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1147 ' ' LEU . . . . . 0.473 HD13 ' CZ2' ' A' 1153 ' ' TRP . 0.0 OUTLIER -122.98 135.24 54.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1148 ' ' ILE . . . . . 0.712 ' O ' HD12 ' A' 1102 ' ' ILE . 0.4 OUTLIER -132.96 157.74 43.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.272 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 158.88 -147.39 14.87 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.509 1.131 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 11.2 m120 -67.76 138.95 56.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 0.781 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1151 ' ' ARG . . . . . 0.671 ' HB2' HG22 ' A' 1170 ' ' THR . 0.0 OUTLIER -51.14 -27.06 7.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 110.306 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1152 ' ' GLU . . . . . 0.869 ' H ' HG21 ' A' 1170 ' ' THR . 0.0 OUTLIER -67.89 -37.11 81.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1153 ' ' TRP . . . . . 0.584 ' CE3' ' O ' ' A' 1153 ' ' TRP . 1.5 t-105 -66.01 -48.3 71.6 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1154 ' ' LEU . . . . . 0.796 HD12 ' CB ' ' A' 1183 ' ' ALA . 3.6 mm? -65.6 -36.08 82.7 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.532 1.145 . . . . 0.0 109.339 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1155 ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' 1159 ' ' LEU . 0.0 OUTLIER -65.96 -44.66 84.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.367 179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1156 ' ' ARG . . . . . 0.488 ' CZ ' ' OG ' ' A' 1163 ' ' SER . 10.6 mtp180 -71.82 -22.35 61.56 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.424 1.077 . . . . 0.0 110.336 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1157 ' ' ASN . . . . . 0.431 ' OD1' HD11 ' A' 1147 ' ' LEU . 8.6 t-20 -82.15 -66.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1158 ' ' GLY . . . . . 0.747 ' C ' HD13 ' A' 1159 ' ' LEU . . . -61.61 -48.35 85.04 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.747 HD13 ' C ' ' A' 1158 ' ' GLY . 0.0 OUTLIER -124.78 -160.56 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 0.787 . . . . 0.0 109.302 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1160 ' ' THR . . . . . 0.501 ' O ' ' CG1' ' A' 1161 ' ' ILE . 1.6 m -127.65 165.02 20.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.384 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1161 ' ' ILE . . . . . 0.552 HG23 ' N ' ' A' 1162 ' ' SER . 0.4 OUTLIER 163.93 169.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1162 ' ' SER . . . . . 0.552 ' N ' HG23 ' A' 1161 ' ' ILE . 1.0 OUTLIER -67.5 141.04 57.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 109.99 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . 0.531 ' O ' ' CB ' ' A' 1167 ' ' ASP . 28.0 m -71.65 -39.57 70.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 1.166 . . . . 0.0 109.999 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1164 ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' 1168 ' ' ALA . 67.2 t0 -71.73 -41.16 68.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1165 ' ' VAL . . . . . 0.47 HG23 ' HB3' ' A' 1162 ' ' SER . 48.9 t -65.98 -50.19 71.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1166 ' ' SER . . . . . 0.489 ' HB2' HG22 ' A' 1161 ' ' ILE . 1.9 t -66.75 -46.83 74.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.436 1.085 . . . . 0.0 110.002 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1167 ' ' ASP . . . . . 0.531 ' CB ' ' O ' ' A' 1163 ' ' SER . 4.8 t70 -60.85 -37.28 81.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.251 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1168 ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' 1164 ' ' ASP . . . -63.23 -45.77 90.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 36.8 mmm -61.6 -49.48 76.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1170 ' ' THR . . . . . 0.869 HG21 ' H ' ' A' 1152 ' ' GLU . 4.4 p -62.43 -46.85 86.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.349 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1171 ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.3 OUTLIER -58.61 -43.86 89.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 3.1 t60 -53.53 -47.34 70.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.639 1.212 . . . . 0.0 109.669 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1173 ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' 1177 ' ' GLN . 6.5 mm-40 -60.53 -37.59 81.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.244 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1174 ' ' MET . . . . . 0.423 ' HA ' ' O ' ' A' 1177 ' ' GLN . 0.0 OUTLIER -76.12 -8.43 57.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.986 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.22 10.32 17.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -150.39 -58.74 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1177 ' ' GLN . . . . . 0.423 ' O ' ' HA ' ' A' 1174 ' ' MET . 55.9 mm-40 -127.29 174.61 8.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.767 . . . . 0.0 110.327 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1178 ' ' THR . . . . . 0.485 ' CG2' ' HB ' ' A' 1194 ' ' ILE . 53.3 m -96.86 119.09 34.7 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.517 1.135 . . . . 0.0 110.322 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -127.88 127.51 43.52 Favored 'General case' 0 C--N 1.323 -0.543 0 O-C-N 124.531 1.145 . . . . 0.0 109.359 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1180 ' ' ILE . . . . . 0.578 HD12 HD11 ' A' 1148 ' ' ILE . 18.6 pt -137.16 133.95 47.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1181 ' ' LEU . . . . . 0.551 HD13 ' HB2' ' A' 1154 ' ' LEU . 0.9 OUTLIER -100.05 137.8 38.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1182 ' ' VAL . . . . . 0.671 HG13 ' HB ' ' A' 1148 ' ' ILE . 1.8 t -120.35 123.33 70.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1183 ' ' ALA . . . . . 0.826 ' O ' HG23 ' A' 1146 ' ' VAL . . . -121.67 144.26 48.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1184 ' ' ILE . . . . . 1.017 ' O ' HG12 ' A' 1187 ' ' VAL . 1.2 tt -112.52 131.26 64.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1185 ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' 1145 ' ' SER . 0.5 OUTLIER 55.27 33.89 21.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.53 14.72 77.48 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.459 1.1 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1187 ' ' VAL . . . . . 1.017 HG12 ' O ' ' A' 1184 ' ' ILE . 1.1 p -119.46 153.07 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.447 0.734 . . . . 0.0 109.337 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1188 ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' 1188 ' ' LEU . 0.3 OUTLIER -61.49 149.19 39.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.295 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1189 ' ' CYS . . . . . 0.575 ' SG ' ' N ' ' A' 1190 ' ' GLY . 1.9 p -146.07 -46.39 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 108.322 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1190 ' ' GLY . . . . . 0.575 ' N ' ' SG ' ' A' 1189 ' ' CYS . . . 167.05 155.75 9.28 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1191 ' ' MET . . . . . . . . . . . . . 8.7 ptp -115.17 149.11 38.17 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.483 0.755 . . . . 0.0 110.971 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1192 ' ' ILE . . . . . 0.426 ' O ' ' CG1' ' A' 1180 ' ' ILE . 18.3 mt -107.98 128.7 63.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.473 1.108 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1193 ' ' ALA . . . . . 0.501 ' HB3' ' HG2' ' A' 1041 ' ' ARG . . . -110.66 126.37 54.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1194 ' ' ILE . . . . . 0.485 ' HB ' ' CG2' ' A' 1178 ' ' THR . 6.7 mt -110.01 138.59 37.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' 1040 ' ' MET . . . -132.0 104.82 7.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 109.313 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1033 ' ' GLY . . . . . . . . . . . . . . . 133.82 157.35 8.25 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.425 1.078 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1034 ' ' HIS . . . . . . . . . . . . . 6.6 m80 -132.63 78.43 1.8 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.529 0.782 . . . . 0.0 109.579 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1035 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.99 113.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1036 ' ' VAL . . . . . . . . . . . . . 32.9 m -118.03 124.48 28.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 109.278 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1037 ' ' PRO . . . . . 0.582 ' O ' HD13 ' A' 1071 ' ' LEU . 18.3 Cg_endo -74.99 -168.27 0.5 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.553 1.817 . . . . 0.0 111.068 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1038 ' ' ARG . . . . . 0.961 ' O ' HG23 ' A' 1194 ' ' ILE . 0.0 OUTLIER -104.21 162.08 13.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.318 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1039 ' ' VAL . . . . . 0.706 HG21 HG21 ' A' 1075 ' ' VAL . 3.8 m -68.39 136.57 26.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1040 ' ' MET . . . . . 0.672 ' SD ' ' HB2' ' A' 1195 ' ' ALA . 8.6 ptt? -100.11 -38.24 8.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1041 ' ' ARG . . . . . 0.682 ' O ' ' HB3' ' A' 1193 ' ' ALA . 0.1 OUTLIER -171.26 158.82 5.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.327 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1042 ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' 1191 ' ' MET . 1.7 p -124.33 137.24 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.615 1.197 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1043 ' ' LEU . . . . . 0.469 HD12 ' NE ' ' A' 1041 ' ' ARG . 0.0 OUTLIER -102.23 151.62 22.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1044 ' ' LEU . . . . . . . . . . . . . 5.1 tp -92.33 131.97 37.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1045 ' ' LEU . . . . . 0.677 HD13 HD11 ' A' 1181 ' ' LEU . 0.3 OUTLIER -146.61 25.88 1.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1046 ' ' GLY . . . . . 0.555 ' N ' ' O ' ' A' 1189 ' ' CYS . . . -107.57 -148.62 14.48 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 110.964 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 1.6 t70 175.61 170.46 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1048 ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' 1048 ' ' VAL . 42.6 t -113.93 27.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.347 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1049 ' ' ALA . . . . . . . . . . . . . . . -93.65 -5.88 47.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1050 ' ' THR . . . . . 0.409 ' O ' ' HG ' ' A' 1051 ' ' LEU . 7.9 m -136.62 -39.22 0.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.403 1.064 . . . . 0.0 110.392 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1051 ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' 1048 ' ' VAL . 13.1 mt -153.33 149.77 22.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.224 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1052 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 132.6 15.68 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.521 1.801 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1053 ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.25 -27.16 68.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1054 ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.37 -49.3 76.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.243 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1055 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.16 -40.4 94.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.342 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1056 ' ' VAL . . . . . 0.408 ' O ' HG12 ' A' 1059 ' ' VAL . 12.7 t -63.57 -38.85 83.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.603 1.189 . . . . 0.0 109.31 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1057 ' ' LEU . . . . . 0.468 HD22 ' HA ' ' A' 1057 ' ' LEU . 0.2 OUTLIER -64.54 -36.96 85.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1058 ' ' ALA . . . . . . . . . . . . . . . -68.0 -45.26 74.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1059 ' ' VAL . . . . . 0.981 HG23 HG11 ' A' 1109 ' ' VAL . 0.4 OUTLIER -63.26 -42.0 94.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.12 . . . . 0.0 109.266 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1060 ' ' VAL . . . . . 0.433 HG12 ' O ' ' A' 1057 ' ' LEU . 0.4 OUTLIER -68.44 -34.85 67.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.352 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1061 ' ' GLY . . . . . 0.698 ' HA2' HG22 ' A' 1076 ' ' THR . . . -60.79 -48.35 86.67 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.421 1.075 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1062 ' ' THR . . . . . 0.858 HG22 ' CB ' ' A' 1090 ' ' TYR . 51.3 m -79.16 -31.05 43.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 0.75 . . . . 0.0 110.425 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1063 ' ' ALA . . . . . 0.607 ' HA ' ' CD2' ' A' 1090 ' ' TYR . . . -62.66 -53.74 49.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1064 ' ' GLU . . . . . 0.872 ' O ' HG22 ' A' 1073 ' ' VAL . 0.1 OUTLIER -71.03 -45.28 64.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1065 ' ' ALA . . . . . 0.838 ' O ' HG13 ' A' 1073 ' ' VAL . . . -54.4 -36.55 64.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.254 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1066 ' ' SER . . . . . . . . . . . . . 5.2 t -117.41 35.08 4.82 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.142 . . . . 0.0 109.992 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1067 ' ' SER . . . . . 0.541 ' O ' ' CB ' ' A' 1068 ' ' GLU . 0.4 OUTLIER -86.68 -27.97 23.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.971 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1068 ' ' GLU . . . . . 0.541 ' CB ' ' O ' ' A' 1067 ' ' SER . 0.4 OUTLIER 89.72 27.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1069 ' ' HIS . . . . . 0.418 ' H ' HG23 ' A' 1073 ' ' VAL . 10.0 t60 -111.09 127.13 27.38 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.16 . . . . 0.0 109.647 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1070 ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 54.72 3.72 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.47 1.773 . . . . 0.0 110.951 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1071 ' ' LEU . . . . . 0.582 HD13 ' O ' ' A' 1037 ' ' PRO . 1.9 mt -178.6 -52.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.283 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1072 ' ' GLY . . . . . 0.449 ' O ' ' OG1' ' A' 1076 ' ' THR . . . -67.88 -33.69 80.42 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.449 1.093 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1073 ' ' VAL . . . . . 0.872 HG22 ' O ' ' A' 1064 ' ' GLU . 75.3 t -70.04 -35.9 66.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.59 0.817 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1074 ' ' ALA . . . . . . . . . . . . . . . -69.33 -38.35 78.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1075 ' ' VAL . . . . . 0.706 HG21 HG21 ' A' 1039 ' ' VAL . 0.4 OUTLIER -61.51 -50.95 78.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 109.259 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1076 ' ' THR . . . . . 0.698 HG22 ' HA2' ' A' 1061 ' ' GLY . 0.4 OUTLIER -68.53 -38.18 80.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.421 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1077 ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' 1080 ' ' LYS . 1.2 ttpt -58.28 -47.08 84.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.376 1.047 . . . . 0.0 109.252 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1078 ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.01 -45.02 95.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1079 ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -61.77 -34.65 76.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 108.307 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1080 ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' 1081 ' ' GLU . 0.0 OUTLIER -67.16 -38.1 84.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1081 ' ' GLU . . . . . 0.424 ' N ' ' HG2' ' A' 1080 ' ' LYS . 4.3 mt-10 -63.64 -44.09 94.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1082 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -20.7 52.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 110.304 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1083 ' ' LEU . . . . . . . . . . . . . 8.9 mt -83.74 -23.03 31.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1084 ' ' GLY . . . . . . . . . . . . . . . 70.44 39.96 68.96 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1085 ' ' THR . . . . . . . . . . . . . 2.3 p -136.84 121.06 17.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 0.741 . . . . 0.0 110.41 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1086 ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -94.4 24.86 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . . . . . . . . . 2.6 m -60.7 125.25 23.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.385 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1088 ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' 1088 ' ' LEU . 9.6 mt -156.69 126.47 6.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.611 1.195 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1089 ' ' GLY . . . . . 0.526 ' O ' ' CG ' ' A' 1108 ' ' ASN . . . 161.33 39.44 0.02 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.575 1.172 . . . . 0.0 110.945 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1090 ' ' TYR . . . . . 1.116 ' CE2' HG22 ' A' 1092 ' ' THR . 0.2 OUTLIER -83.03 142.18 31.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 0.758 . . . . 0.0 111.046 179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1091 ' ' CYS . . . . . 0.621 ' O ' ' HA ' ' A' 1106 ' ' VAL . 15.5 t -100.85 124.8 47.06 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.502 1.126 . . . . 0.0 108.302 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1092 ' ' THR . . . . . 1.116 HG22 ' CE2' ' A' 1090 ' ' TYR . 2.2 p -92.72 137.59 32.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.431 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1093 ' ' ASP . . . . . 0.502 ' O ' ' CG ' ' A' 1105 ' ' LYS . 9.1 m-20 -163.01 78.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.24 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1094 ' ' PHE . . . . . 0.583 ' CB ' ' HA ' ' A' 1104 ' ' CYS . 43.2 p90 -107.92 -167.16 1.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1095 ' ' GLN . . . . . . . . . . . . . 3.6 tt0 177.22 155.41 0.28 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.513 1.133 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1096 ' ' ALA . . . . . . . . . . . . . . . -93.41 126.84 38.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1097 ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.14 125.16 29.69 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1098 ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 152.35 40.14 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.533 1.807 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1099 ' ' GLY . . . . . . . . . . . . . . . 49.01 27.05 6.4 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1100 ' ' CYS . . . . . 0.492 ' O ' ' CG ' ' A' 1153 ' ' TRP . 8.0 m -141.63 -71.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1101 ' ' GLY . . . . . . . . . . . . . . . 157.15 -127.44 1.94 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.44 1.087 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1102 ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' 1148 ' ' ILE . 1.2 pt -135.53 135.65 51.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.566 0.804 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1103 ' ' GLY . . . . . 0.441 ' CA ' HD23 ' A' 1147 ' ' LEU . . . -126.47 132.43 7.75 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.495 1.122 . . . . 0.0 111.045 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1104 ' ' CYS . . . . . 0.583 ' HA ' ' CB ' ' A' 1094 ' ' PHE . 3.1 p -121.48 145.23 48.15 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1105 ' ' LYS . . . . . 0.502 ' CG ' ' O ' ' A' 1093 ' ' ASP . 18.7 mtpt -118.73 153.56 34.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1106 ' ' VAL . . . . . 0.621 ' HA ' ' O ' ' A' 1091 ' ' CYS . 0.9 OUTLIER -140.53 135.22 35.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1107 ' ' SER . . . . . 0.577 ' O ' ' CB ' ' A' 1108 ' ' ASN . 0.7 OUTLIER -149.54 134.91 18.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.962 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1108 ' ' ASN . . . . . 0.595 HD22 ' N ' ' A' 1091 ' ' CYS . 2.9 m-20 149.59 -24.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.247 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1109 ' ' VAL . . . . . 0.981 HG11 HG23 ' A' 1059 ' ' VAL . 24.8 m -57.25 -21.69 15.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.402 ' C ' ' CD ' ' A' 1110 ' ' GLU . 5.4 tm-20 -66.19 -45.19 81.69 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.448 1.093 . . . . 0.0 110.32 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -76.73 -32.35 50.58 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1112 ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' 1112 ' ' ILE . 22.6 mm -67.94 -34.17 65.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.532 0.784 . . . . 0.0 109.385 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1113 ' ' LEU . . . . . 0.756 ' C ' HD12 ' A' 1113 ' ' LEU . 0.3 OUTLIER -83.47 -36.32 24.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 109.258 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1114 ' ' ALA . . . . . . . . . . . . . . . -85.43 -147.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1115 ' ' HIS . . . . . . . . . . . . . 47.8 p-80 -177.06 166.62 2.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.585 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1116 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.17 136.61 43.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1117 ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -169.92 78.94 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1118 ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.81 101.61 42.32 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1119 ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 158.54 42.06 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.515 1.797 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1120 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -63.0 1.45 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1121 ' ' SER . . . . . . . . . . . . . 2.0 m 64.81 -95.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.968 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1122 ' ' ALA . . . . . . . . . . . . . . . 56.5 85.51 0.19 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.388 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1123 ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 125.27 9.24 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1124 ' ' ALA . . . . . . . . . . . . . . . 40.34 84.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.439 1.087 . . . . 0.0 109.244 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1125 ' ' SER . . . . . . . . . . . . . 2.8 t -95.77 -6.91 38.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 110.034 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1126 ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.31 -14.98 30.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.555 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.515 ' O ' ' C ' ' A' 1128 ' ' ASN . 15.6 mt -56.25 -28.11 57.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1128 ' ' ASN . . . . . 0.515 ' C ' ' O ' ' A' 1127 ' ' LEU . 1.6 t-20 31.59 88.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1129 ' ' GLU . . . . . 0.534 ' O ' ' HB3' ' A' 1130 ' ' ALA . 3.0 tt0 -170.7 -69.87 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.596 1.185 . . . . 0.0 110.271 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1130 ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' 1129 ' ' GLU . . . 73.1 165.16 0.29 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.338 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1131 ' ' GLY . . . . . . . . . . . . . . . -168.88 -58.87 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1132 ' ' SER . . . . . . . . . . . . . 57.7 p -133.54 153.94 51.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 110.032 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1133 ' ' LEU . . . . . . . . . . . . . 1.1 mt -98.95 138.45 20.64 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1134 ' ' PRO . . . . . 0.463 ' O ' ' HB3' ' A' 1135 ' ' ALA . 18.3 Cg_endo -74.99 148.27 35.1 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 111.04 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1135 ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' 1134 ' ' PRO . . . 69.23 -63.58 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1136 ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' 1134 ' ' PRO . 2.7 tt0 55.49 169.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1137 ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 69.14 155.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1138 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -115.01 113.12 23.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1139 ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' 1140 ' ' VAL . . . -55.14 93.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1140 ' ' VAL . . . . . 0.43 ' HA ' ' HD3' ' A' 1141 ' ' PRO . 0.2 OUTLIER -39.2 136.99 1.0 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.265 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1141 ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' 1140 ' ' VAL . 18.2 Cg_endo -75.0 146.58 32.81 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.495 1.787 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1142 ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -63.39 122.35 16.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1143 ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.6 129.65 53.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.419 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1144 ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -106.05 142.49 35.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1145 ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' 1185 ' ' ASP . 26.7 p -116.84 130.4 56.69 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1146 ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' 1183 ' ' ALA . 43.8 t -123.13 128.88 75.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1147 ' ' LEU . . . . . 0.441 HD23 ' CA ' ' A' 1103 ' ' GLY . 5.6 mt -107.81 122.72 47.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1148 ' ' ILE . . . . . 0.628 HG22 HG22 ' A' 1182 ' ' VAL . 1.2 pt -119.47 157.3 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.326 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1149 ' ' GLY . . . . . . . . . . . . . . . 158.54 -165.11 33.84 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.601 1.188 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1150 ' ' ASN . . . . . . . . . . . . . 9.0 m120 -68.53 149.44 49.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 0.726 . . . . 0.0 109.273 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1151 ' ' ARG . . . . . 0.691 ' HG2' HD23 ' A' 1181 ' ' LEU . 68.4 mtt180 -52.8 -34.2 52.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1152 ' ' GLU . . . . . 0.424 ' HB3' ' CA ' ' A' 1167 ' ' ASP . 0.0 OUTLIER -62.44 -38.21 88.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1153 ' ' TRP . . . . . 0.52 ' CE3' ' O ' ' A' 1153 ' ' TRP . 1.2 t-105 -60.23 -53.38 58.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 107.988 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1154 ' ' LEU . . . . . 0.757 ' CD2' HD12 ' A' 1181 ' ' LEU . 6.9 mp -59.51 -41.12 89.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1155 ' ' ARG . . . . . 0.483 ' HG3' ' CB ' ' A' 1166 ' ' SER . 33.7 mmt-85 -58.7 -46.21 87.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.273 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1156 ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -71.25 -22.86 61.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1157 ' ' ASN . . . . . . . . . . . . . 46.6 t30 -68.05 -50.34 55.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1158 ' ' GLY . . . . . . . . . . . . . . . 169.81 52.84 0.04 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.434 1.084 . . . . 0.0 110.953 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1159 ' ' LEU . . . . . 0.438 ' HA ' HD22 ' A' 1159 ' ' LEU . 0.3 OUTLIER -133.31 138.35 46.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.246 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1160 ' ' THR . . . . . 0.63 HG22 ' H ' ' A' 1161 ' ' ILE . 2.7 m -52.81 -170.58 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.551 1.157 . . . . 0.0 110.418 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1161 ' ' ILE . . . . . 0.63 ' H ' HG22 ' A' 1160 ' ' THR . 2.6 mp 66.59 148.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1162 ' ' SER . . . . . 0.416 ' HB3' ' CG2' ' A' 1165 ' ' VAL . 41.6 t -70.07 143.73 52.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.015 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1163 ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -35.16 79.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 109.947 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1164 ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.82 -38.37 73.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1165 ' ' VAL . . . . . 0.416 ' CG2' ' HB3' ' A' 1162 ' ' SER . 38.4 t -64.21 -50.38 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1166 ' ' SER . . . . . 0.483 ' CB ' ' HG3' ' A' 1155 ' ' ARG . 5.8 t -69.65 -34.42 73.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 110.026 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1167 ' ' ASP . . . . . 0.424 ' CA ' ' HB3' ' A' 1152 ' ' GLU . 1.2 t70 -64.42 -44.85 89.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1168 ' ' ALA . . . . . . . . . . . . . . . -66.15 -37.14 84.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1169 ' ' MET . . . . . . . . . . . . . 4.3 ttt -64.88 -49.59 69.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1170 ' ' THR . . . . . . . . . . . . . 8.9 m -63.33 -49.0 75.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.434 1.084 . . . . 0.0 110.371 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1171 ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' 1167 ' ' ASP . 0.1 OUTLIER -60.34 -41.37 93.48 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1172 ' ' HIS . . . . . . . . . . . . . 10.6 m170 -55.72 -47.43 76.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.59 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1173 ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' 1177 ' ' GLN . 1.4 tt0 -58.49 -37.6 75.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1174 ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.19 -10.34 14.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1175 ' ' LYS . . . . . . . . . . . . . 3.4 tttt -87.16 8.33 24.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.579 1.174 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1176 ' ' GLY . . . . . . . . . . . . . . . -155.68 -57.16 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.402 1.064 . . . . 0.0 111.046 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1177 ' ' GLN . . . . . 0.416 ' O ' ' O ' ' A' 1173 ' ' GLU . 7.6 mp0 -125.93 174.9 8.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 0.753 . . . . 0.0 110.327 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1178 ' ' THR . . . . . . . . . . . . . 2.3 m -105.16 122.55 46.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1179 ' ' ALA . . . . . . . . . . . . . . . -130.0 128.45 42.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1180 ' ' ILE . . . . . 0.55 HD11 HD12 ' A' 1194 ' ' ILE . 0.0 OUTLIER -134.38 145.58 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 109.242 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1181 ' ' LEU . . . . . 0.757 HD12 ' CD2' ' A' 1154 ' ' LEU . 0.1 OUTLIER -100.43 140.56 34.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1182 ' ' VAL . . . . . 0.628 HG22 HG22 ' A' 1148 ' ' ILE . 48.8 t -119.14 120.99 65.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1183 ' ' ALA . . . . . 0.717 ' HB2' HD21 ' A' 1154 ' ' LEU . . . -120.59 149.13 42.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.441 1.088 . . . . 0.0 109.318 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1184 ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' 1184 ' ' ILE . 1.4 tt -110.09 111.93 38.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1185 ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' 1145 ' ' SER . 40.7 t0 55.33 40.74 31.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.359 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1186 ' ' GLY . . . . . . . . . . . . . . . 72.93 14.13 78.71 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1187 ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' 1184 ' ' ILE . 2.4 t -115.11 153.67 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 0.728 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1188 ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' 1045 ' ' LEU . 0.6 OUTLIER -60.37 143.75 52.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1189 ' ' CYS . . . . . 0.555 ' O ' ' N ' ' A' 1046 ' ' GLY . 2.7 t -147.55 -59.68 0.27 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.543 1.152 . . . . 0.0 108.347 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1190 ' ' GLY . . . . . 0.503 ' HA2' ' HB2' ' A' 1045 ' ' LEU . . . -179.13 -166.84 35.7 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1191 ' ' MET . . . . . 0.692 ' O ' HG23 ' A' 1042 ' ' VAL . 10.2 ptm -151.34 150.69 30.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 0.742 . . . . 0.0 111.064 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1192 ' ' ILE . . . . . . . . . . . . . 2.0 mm -107.07 133.83 50.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1193 ' ' ALA . . . . . 0.682 ' HB3' ' O ' ' A' 1041 ' ' ARG . . . -122.29 120.25 33.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1194 ' ' ILE . . . . . 0.961 HG23 ' O ' ' A' 1038 ' ' ARG . 7.2 mt -119.51 137.65 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1195 ' ' ALA . . . . . 0.672 ' HB2' ' SD ' ' A' 1040 ' ' MET . . . -141.33 114.76 8.84 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.423 1.077 . . . . 0.0 109.325 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1196 ' ' ASP . . . . . . . . . . . . . 7.3 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.313 -179.99 . . . . . . . . 0 0 . 1 stop_ save_