data_1ub1_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 1ub1 _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 ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.623 ' CE3' ' HD3' ' A' ' 128' ' ' PRO . 2.0 t90 63.96 125.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.7 m -159.02 149.91 19.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.413 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 107' ' ' ARG . 1.3 ttp85 -94.71 126.6 40.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.769 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -115.69 136.0 53.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.592 HD22 ' CB ' ' A' ' 121' ' ' TYR . 6.4 tt -112.63 143.74 43.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.088 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 122' ' ' ASP . 2.8 mmtt -151.42 -179.76 7.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -85.42 136.33 33.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -93.67 40.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 114' ' ' SER . 0.9 OUTLIER -43.9 165.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 1.1 t 86.0 46.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.098 . . . . 0.0 110.054 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 117' ' ' SER . . . -145.55 51.45 0.6 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.515 1.135 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 65.52 -73.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 110.27 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 115' ' ' GLY . 42.5 t -127.35 23.33 6.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 39.63 -154.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 166.41 -109.1 0.34 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -76.9 152.86 35.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.592 ' CB ' HD22 ' A' ' 109' ' ' LEU . 12.5 m-85 -70.07 -159.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.646 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 0.3 OUTLIER -148.11 141.39 25.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.638 ' N ' ' CG1' ' A' ' 160' ' ' VAL . 1.2 t -97.6 148.46 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.769 ' N ' ' O ' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -131.21 123.96 29.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.037 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.459 ' O ' ' CD2' ' A' ' 133' ' ' PHE . 81.6 mt -98.67 113.92 26.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.625 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 2.9 mt -92.47 122.78 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.467 ' ND2' ' HD2' ' A' ' 128' ' ' PRO . 0.5 OUTLIER -72.32 175.22 3.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.623 ' HD3' ' CE3' ' A' ' 105' ' ' TRP . 18.2 Cg_endo -74.99 62.08 5.78 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.86 -38.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 137.74 -7.46 3.58 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.625 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -72.23 127.49 32.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.556 ' HB3' ' CD1' ' A' ' 124' ' ' TYR . . . -101.72 147.14 26.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.459 ' CD2' ' O ' ' A' ' 125' ' ' LEU . 31.1 m-85 -116.35 123.94 48.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.6 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 4.7 mtm180 -109.66 -4.7 15.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.51 ' HB3' ' CG1' ' A' ' 137' ' ' VAL . 72.7 m -141.28 146.56 36.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -63.23 -19.74 64.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.51 ' CG1' ' HB3' ' A' ' 135' ' ' SER . 0.2 OUTLIER -70.29 -50.34 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -59.87 -23.19 63.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.689 ' CD1' ' CZ ' ' A' ' 143' ' ' PHE . 11.4 tp -61.84 -50.13 73.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.756 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.2 OUTLIER -61.08 -46.12 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -41.6 -49.52 4.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . 0.711 ' O ' ' CG1' ' A' ' 146' ' ' VAL . 2.0 m-85 -89.77 -31.55 17.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.689 ' CZ ' ' CD1' ' A' ' 139' ' ' LEU . 3.3 m-85 -75.72 -19.29 59.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . 0.756 ' N ' ' O ' ' A' ' 140' ' ' ILE . 0.8 OUTLIER -47.04 -50.18 19.93 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 3.5 ptmt 177.61 57.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.711 ' CG1' ' O ' ' A' ' 142' ' ' TYR . 0.8 OUTLIER -109.63 -10.22 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 142.43 -70.59 0.42 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . 0.431 ' OD2' ' HA ' ' A' ' 143' ' ' PHE . 70.7 m-20 58.51 161.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' A' ' 150' ' ' SER . 0.7 OUTLIER -106.23 -69.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.46 ' N ' ' CG2' ' A' ' 149' ' ' THR . 46.4 t -169.16 51.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.531 HD23 ' CH2' ' A' ' 105' ' ' TRP . 0.5 OUTLIER -141.33 132.94 27.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . 0.554 ' HD2' ' N ' ' A' ' 155' ' ' ASP . 2.4 p-10 -103.84 166.36 11.82 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 152' ' ' ASP . 18.3 Cg_endo -74.99 -19.68 17.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.508 ' CB ' ' OD1' ' A' ' 152' ' ' ASP . 7.9 t30 -72.74 -8.65 56.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . 0.554 ' N ' ' HD2' ' A' ' 152' ' ' ASP . 6.8 t70 -153.55 50.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' A' ' 158' ' ' PHE . 2.9 p90 -48.87 -177.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.458 ' HB2' ' CD2' ' A' ' 125' ' ' LEU . 9.7 m-20 -104.77 -9.11 18.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.588 ' HB2' ' CD1' ' A' ' 156' ' ' PHE . 5.7 m-30 -46.44 124.22 5.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' THR . . . . . 0.53 ' OG1' ' CG2' ' A' ' 123' ' ' VAL . 72.5 p -110.51 -85.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.646 ' CG1' ' C ' ' A' ' 122' ' ' ASP . 6.1 p -51.9 -27.52 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.446 ' HB ' ' H ' ' A' ' 123' ' ' VAL . 9.3 t -119.08 20.46 12.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . 0.514 ' HA3' ' O ' ' A' ' 158' ' ' PHE . . . -131.84 -76.2 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.21 -10.51 59.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.463 ' O ' ' CB ' ' A' ' 105' ' ' TRP . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.609 ' CD1' ' C ' ' A' ' 105' ' ' TRP . 0.0 OUTLIER 164.66 124.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.4 m -153.5 173.75 15.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.518 ' CG ' ' CD2' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -91.49 128.9 37.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.588 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -111.15 125.87 54.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.546 ' HG ' ' CG1' ' A' ' 160' ' ' VAL . 6.3 tt -102.78 143.27 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 122' ' ' ASP . 2.3 mtpt -153.04 171.96 17.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.462 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 1.8 mt-30 -87.11 130.98 34.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.26 8.82 40.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.473 ' HA ' ' CB ' ' A' ' 118' ' ' ALA . 6.9 ttpt -41.6 -78.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER 39.08 29.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.03 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 113' ' ' LYS . . . -148.38 -91.08 0.09 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.25 -70.32 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 0.729 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 118' ' ' ALA . 47.0 t -128.77 48.95 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 113' ' ' LYS . . . -37.09 -88.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 173.05 -101.68 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.592 1.183 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 121' ' ' TYR . 0.2 OUTLIER -103.11 155.97 18.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 0.724 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.543 ' CB ' HD23 ' A' ' 109' ' ' LEU . 8.1 m-85 -55.94 -155.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.625 ' C ' HG12 ' A' ' 160' ' ' VAL . 0.3 OUTLIER -148.76 150.15 32.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.623 ' CG2' HG13 ' A' ' 160' ' ' VAL . 1.2 t -108.54 148.97 12.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.588 ' N ' ' O ' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -133.66 123.02 24.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 110.981 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.518 ' CD2' ' CG ' ' A' ' 107' ' ' ARG . 55.3 mt -96.51 114.12 25.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 10.0 mt -95.85 119.93 44.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.519 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 1.0 OUTLIER -70.71 179.25 0.91 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.519 ' CD ' ' CB ' ' A' ' 127' ' ' ASN . 18.3 Cg_endo -74.99 2.99 6.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.556 1.819 . . . . 0.0 110.976 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.48 ' NE2' ' OH ' ' A' ' 142' ' ' TYR . 0.0 OUTLIER -104.03 -22.51 13.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 111.37 10.02 20.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.595 1.185 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.584 ' HG2' ' CE1' ' A' ' 133' ' ' PHE . 1.1 ttmt -90.01 124.35 34.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.477 ' C ' ' CE1' ' A' ' 124' ' ' TYR . . . -94.65 139.24 31.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.584 ' CE1' ' HG2' ' A' ' 131' ' ' LYS . 26.8 m-85 -113.93 125.53 54.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 1.6 mtm180 -99.13 -7.61 26.39 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.48 ' HB3' ' CG1' ' A' ' 137' ' ' VAL . 0.4 OUTLIER -141.58 147.74 38.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.049 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.663 ' CD ' ' CE2' ' A' ' 156' ' ' PHE . 12.0 ttpt -66.51 -21.75 66.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.087 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' A' ' 135' ' ' SER . 2.3 p -67.04 -46.86 83.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -24.27 65.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.553 HD11 ' CD2' ' A' ' 133' ' ' PHE . 11.9 tp -60.36 -48.77 80.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.774 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -61.77 -44.79 99.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -44.56 -49.89 9.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . 0.602 ' O ' ' CG1' ' A' ' 146' ' ' VAL . 0.1 OUTLIER -86.39 -28.97 23.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.707 ' HB3' ' HA ' ' A' ' 140' ' ' ILE . 45.0 t80 -79.16 -21.28 46.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . 0.774 ' N ' ' O ' ' A' ' 140' ' ' ILE . 0.8 OUTLIER -49.52 -45.4 47.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.358 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.609 ' CG ' ' O ' ' A' ' 145' ' ' LYS . 4.1 ttpt 162.08 66.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.602 ' CG1' ' O ' ' A' ' 142' ' ' TYR . 9.8 p -102.21 -8.03 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.12 3.4 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . 0.455 ' OD1' ' ND2' ' A' ' 127' ' ' ASN . 48.5 m-20 -138.41 124.74 20.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.791 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.48 108.44 9.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.9 t 169.78 -46.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.993 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.483 ' CD2' HD13 ' A' ' 139' ' ' LEU . 0.2 OUTLIER -100.75 110.46 22.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -107.45 178.74 1.01 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . 0.616 ' O ' ' CD1' ' A' ' 156' ' ' PHE . 18.5 Cg_endo -74.96 -22.65 14.69 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -95.42 -13.23 24.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -100.25 -13.05 19.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.663 ' CE2' ' CD ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -52.28 142.64 16.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.979 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.531 ' O ' ' O ' ' A' ' 158' ' ' PHE . 1.2 p30 -85.94 -66.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.602 ' CD2' HG22 ' A' ' 161' ' ' THR . 0.6 OUTLIER 50.39 114.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' THR . . . . . 0.527 ' OG1' ' CG2' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -104.74 -96.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.396 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.625 HG12 ' C ' ' A' ' 122' ' ' ASP . 13.7 p -49.86 -19.21 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.602 HG22 ' CD2' ' A' ' 158' ' ' PHE . 2.2 t -117.75 19.93 13.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . 0.494 ' HA3' ' HB3' ' A' ' 158' ' ' PHE . . . -127.4 -80.5 0.31 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.122 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -10.94 59.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.616 ' CD1' ' N ' ' A' ' 105' ' ' TRP . 0.0 OUTLIER -106.01 100.02 9.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -157.02 159.69 38.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.353 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.479 ' CB ' HD22 ' A' ' 125' ' ' LEU . 5.4 ppt_? -96.53 121.31 38.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.774 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -110.33 154.68 23.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.605 ' CD2' ' HB3' ' A' ' 121' ' ' TYR . 3.0 tt -116.12 141.61 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 122' ' ' ASP . 0.5 OUTLIER -162.3 147.28 12.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.483 ' CB ' ' HA ' ' A' ' 121' ' ' TYR . 18.3 pt20 -99.06 137.02 38.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.26 -81.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 176.35 74.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.5 77.4 4.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 132.6 -167.24 23.21 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.448 1.093 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -48.88 -87.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 118' ' ' ALA . 39.4 t -103.75 13.51 32.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 117' ' ' SER . . . 40.63 -131.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 129.46 -27.66 4.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.64 154.55 20.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.605 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 8.2 m-85 -66.11 -168.38 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.412 1.07 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.731 ' C ' HG13 ' A' ' 160' ' ' VAL . 0.3 OUTLIER -144.04 154.49 43.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.626 ' CG2' HG11 ' A' ' 160' ' ' VAL . 1.2 t -96.22 149.35 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.774 ' N ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -136.77 121.48 18.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.514 ' CD1' ' O ' ' A' ' 157' ' ' ASP . 45.1 mt -105.32 113.47 27.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.563 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 0.9 OUTLIER -96.68 131.36 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.209 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.638 ' OD1' ' CE2' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -87.07 -177.3 0.87 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.592 ' CD ' ' CB ' ' A' ' 127' ' ' ASN . 18.5 Cg_endo -74.91 49.28 2.18 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.526 1.803 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -143.08 -53.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 147.38 -21.81 1.53 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.563 1.165 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.578 ' HD3' ' CE1' ' A' ' 133' ' ' PHE . 6.1 tttp -71.06 143.79 50.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.462 ' HB3' ' CE1' ' A' ' 124' ' ' TYR . . . -112.5 140.29 47.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.638 ' CE2' ' OD1' ' A' ' 127' ' ' ASN . 16.1 m-85 -104.05 125.94 50.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.501 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 23.7 mtm180 -86.43 -13.84 45.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.553 1.158 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.472 ' HB3' ' CG1' ' A' ' 137' ' ' VAL . 0.9 OUTLIER -142.07 149.05 39.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.013 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.648 ' CE ' ' CZ ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -66.18 -27.09 67.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 135' ' ' SER . 2.3 p -59.11 -42.2 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -23.22 65.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 143' ' ' PHE . 12.4 tp -58.26 -51.18 70.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.71 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.0 OUTLIER -62.25 -44.81 99.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -43.95 -48.84 8.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . 0.524 ' O ' ' CG1' ' A' ' 146' ' ' VAL . 1.7 t80 -82.24 -35.28 28.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.719 ' O ' ' HA2' ' A' ' 147' ' ' GLY . 0.0 OUTLIER -72.13 -23.88 61.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . 0.71 ' N ' ' O ' ' A' ' 140' ' ' ILE . 4.8 tm-20 -51.75 -20.99 2.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.406 1.066 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -124.77 -63.23 1.19 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' A' ' 148' ' ' ASP . 10.8 p -80.27 2.98 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 109.242 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.719 ' HA2' ' O ' ' A' ' 143' ' ' PHE . . . 37.41 26.57 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 146' ' ' VAL . 73.5 m-20 33.16 90.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' THR . . . . . 0.589 ' O ' ' CB ' ' A' ' 150' ' ' SER . 0.6 OUTLIER -81.21 93.89 6.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.389 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.589 ' CB ' ' O ' ' A' ' 149' ' ' THR . 0.5 OUTLIER 151.85 -53.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.383 1.052 . . . . 0.0 109.987 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.443 ' CD1' HD13 ' A' ' 139' ' ' LEU . 1.0 OUTLIER -132.72 107.85 8.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . 0.482 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . 0.2 OUTLIER -98.82 177.1 1.68 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 152' ' ' ASP . 18.5 Cg_endo -75.07 -5.63 17.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 111.029 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -102.14 2.85 37.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -165.16 47.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.648 ' CZ ' ' CE ' ' A' ' 136' ' ' LYS . 47.6 p90 -95.01 168.22 10.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 111.061 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.514 ' O ' ' CD1' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -106.6 131.2 54.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.641 ' CD1' ' N ' ' A' ' 158' ' ' PHE . 0.2 OUTLIER -152.77 106.29 3.05 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' THR . . . . . 0.585 ' OG1' ' CG2' ' A' ' 123' ' ' VAL . 0.8 OUTLIER -106.6 -96.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.401 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.731 HG13 ' C ' ' A' ' 122' ' ' ASP . 12.6 p -46.92 -23.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.51 HG23 ' CG1' ' A' ' 123' ' ' VAL . 1.3 t -116.51 19.41 14.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . 0.435 ' HA3' ' CD2' ' A' ' 158' ' ' PHE . . . -138.89 -112.97 1.09 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.564 1.165 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . 0.406 ' N ' ' HD2' ' A' ' 163' ' ' ARG . 15.7 mmm180 -77.28 -23.47 51.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 0.723 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.112 . . . . 0.0 111.028 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 105' ' ' TRP . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.592 ' CD1' ' HB3' ' A' ' 128' ' ' PRO . 0.0 OUTLIER -35.51 102.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 104' ' ' GLY . 1.2 t -155.31 154.07 31.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.41 1.069 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.463 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 1.1 tmm_? -94.6 130.2 41.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.325 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.636 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -117.22 128.78 55.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.392 1.057 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.568 ' CD2' ' CB ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER -97.44 143.25 28.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 122' ' ' ASP . 0.6 OUTLIER -164.94 145.64 7.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.37 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -100.84 135.0 42.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.01 77.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -69.9 74.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.388 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.03 59.47 1.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -159.55 -167.09 19.71 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -55.01 -74.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 110.302 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.5 t -131.26 87.09 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.0 -147.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.386 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 124.05 -34.64 3.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.415 1.072 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -84.79 146.51 27.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.568 ' CB ' ' CD2' ' A' ' 109' ' ' LEU . 1.3 m-85 -85.98 -172.23 3.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.618 ' C ' HG13 ' A' ' 160' ' ' VAL . 0.3 OUTLIER -147.52 151.44 36.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.586 1.178 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.652 ' CG2' HG11 ' A' ' 160' ' ' VAL . 1.2 t -102.12 147.42 8.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.636 ' N ' ' O ' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -133.65 121.8 22.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.505 ' CD2' ' HB3' ' A' ' 157' ' ' ASP . 59.4 mt -97.38 114.28 26.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.508 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 3.0 mt -92.84 124.05 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.61 1.193 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.836 ' HB2' ' HD2' ' A' ' 128' ' ' PRO . 53.2 p30 -78.93 176.5 3.64 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.836 ' HD2' ' HB2' ' A' ' 127' ' ' ASN . 18.4 Cg_endo -75.08 15.59 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.453 ' H ' ' C ' ' A' ' 127' ' ' ASN . 13.1 mt-30 -117.6 -11.41 10.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.224 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . 0.484 ' N ' ' OD1' ' A' ' 127' ' ' ASN . . . 98.73 9.47 52.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 111.073 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.7 OUTLIER -91.29 127.62 36.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 0.805 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.531 ' HB3' ' CE1' ' A' ' 124' ' ' TYR . . . -95.35 141.76 28.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.869 ' CE1' ' CD2' ' A' ' 142' ' ' TYR . 8.2 m-30 -119.68 125.7 49.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 0.8 OUTLIER -99.82 1.28 42.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.23 145.7 35.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.048 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.51 ' HD2' ' CE2' ' A' ' 156' ' ' PHE . 0.7 OUTLIER -69.44 -34.64 74.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.54 -41.5 82.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.642 ' O ' ' CD2' ' A' ' 142' ' ' TYR . 0.5 OUTLIER -64.47 -22.46 66.97 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.567 ' O ' ' HB3' ' A' ' 143' ' ' PHE . 13.4 tp -56.18 -49.18 74.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.5 OUTLIER -59.52 -47.85 89.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -41.34 -50.54 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.075 . . . . 0.0 109.323 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . 0.869 ' CD2' ' CE1' ' A' ' 133' ' ' PHE . 29.5 m-85 -86.01 -42.71 13.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.401 1.063 . . . . 0.0 110.996 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.602 ' CE1' ' OD1' ' A' ' 152' ' ' ASP . 1.0 OUTLIER -59.36 -24.79 63.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 140' ' ' ILE . 2.5 tm-20 -52.0 -33.09 36.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 0.4 OUTLIER -178.05 62.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.658 ' HB ' ' O ' ' A' ' 142' ' ' TYR . 7.4 p -111.99 -12.6 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 148' ' ' ASP . . . 89.96 30.75 12.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 147' ' ' GLY . 0.8 OUTLIER -38.08 113.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.249 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' THR . . . . . 0.488 ' CG2' ' NE1' ' A' ' 105' ' ' TRP . 0.6 OUTLIER -93.31 2.53 56.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.455 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.4 t 168.34 -40.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 110.007 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.477 ' CD1' HD12 ' A' ' 139' ' ' LEU . 0.7 OUTLIER -71.95 97.15 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . 0.602 ' OD1' ' CE1' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -129.29 172.24 7.47 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . 0.641 ' O ' ' CE2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -75.05 -6.1 17.59 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -96.5 -17.26 20.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -133.57 19.45 3.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.641 ' CE2' ' O ' ' A' ' 153' ' ' PRO . 0.0 OUTLIER -53.58 -174.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.398 1.061 . . . . 0.0 110.965 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.639 ' O ' ' C ' ' A' ' 158' ' ' PHE . 10.3 t70 -124.4 -50.76 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.678 ' CG ' ' O ' ' A' ' 158' ' ' PHE . 2.0 p90 12.43 89.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' THR . . . . . 0.476 ' OG1' HG21 ' A' ' 123' ' ' VAL . 1.5 p -109.19 -87.48 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 110.398 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.652 HG11 ' CG2' ' A' ' 123' ' ' VAL . 9.9 p -47.12 -27.18 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.518 ' HB ' ' H ' ' A' ' 123' ' ' VAL . 11.6 t -119.95 21.32 11.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . 0.568 ' HA3' ' CD2' ' A' ' 158' ' ' PHE . . . -141.14 -99.9 0.39 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . 0.618 ' CD ' ' CE2' ' A' ' 158' ' ' PHE . 12.3 mmm180 -76.68 -24.12 53.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 0.727 . . . . 0.0 110.376 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 159' ' ' THR . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.398 1.061 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.602 ' CD1' ' C ' ' A' ' 105' ' ' TRP . 0.1 OUTLIER -121.06 116.58 25.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.412 HG21 ' N ' ' A' ' 107' ' ' ARG . 18.1 m -159.42 167.24 29.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.489 ' CD ' HG22 ' A' ' 123' ' ' VAL . 4.4 ttp85 -95.39 130.03 42.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.642 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -116.83 127.54 54.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 122' ' ' ASP . 7.0 tt -100.67 139.88 35.72 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' A' ' 122' ' ' ASP . 14.5 pttt -149.46 139.78 22.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.404 ' HG2' ' N ' ' A' ' 112' ' ' ARG . 2.3 tm0? -101.23 138.73 37.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER -159.4 -75.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 110.256 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 162.31 122.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 115' ' ' GLY . 80.6 p -118.19 38.11 3.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 114' ' ' SER . . . 37.29 -157.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.75 -89.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 118' ' ' ALA . 31.2 t -95.4 -46.15 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 117' ' ' SER . . . 55.26 162.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 104.94 -21.09 36.93 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -101.05 154.69 18.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.58 ' CB ' HD23 ' A' ' 109' ' ' LEU . 1.2 m-85 -69.7 -153.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.683 ' O ' ' HG ' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -147.45 153.46 39.6 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.591 ' CG2' HG13 ' A' ' 160' ' ' VAL . 0.9 OUTLIER -117.54 145.82 22.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.642 ' N ' ' O ' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -133.77 120.72 20.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 111.076 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.549 HD13 ' CZ ' ' A' ' 158' ' ' PHE . 69.2 mt -96.97 112.61 24.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.582 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 1.2 mt -97.03 123.54 49.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.604 ' HB2' ' HD2' ' A' ' 128' ' ' PRO . 4.9 p-10 -74.99 176.73 2.78 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.231 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.604 ' HD2' ' HB2' ' A' ' 127' ' ' ASN . 18.5 Cg_endo -74.98 52.47 3.06 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.441 1.759 . . . . 0.0 111.043 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.437 ' HB2' ' OD1' ' A' ' 127' ' ' ASN . 54.9 mt-30 -152.58 -44.3 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 142.12 -16.52 2.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.582 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -71.14 133.79 46.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.476 0.751 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.58 ' HB3' ' CD1' ' A' ' 124' ' ' TYR . . . -108.77 145.87 34.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.524 ' CE1' ' HD2' ' A' ' 131' ' ' LYS . 49.3 m-85 -111.15 127.19 55.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 5.5 mtm180 -102.43 -2.64 28.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.458 ' OG ' ' CG1' ' A' ' 137' ' ' VAL . 10.0 t -141.8 147.02 36.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.657 ' HA ' ' CE2' ' A' ' 158' ' ' PHE . 5.6 ttpt -64.61 -30.68 71.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.458 ' CG1' ' OG ' ' A' ' 135' ' ' SER . 1.0 OUTLIER -60.03 -46.64 93.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.451 1.094 . . . . 0.0 109.207 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -24.01 64.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.561 ' O ' ' CB ' ' A' ' 143' ' ' PHE . 12.8 tp -59.4 -48.91 79.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.663 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -63.07 -45.75 97.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -41.38 -50.59 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . 0.64 ' O ' ' HB ' ' A' ' 146' ' ' VAL . 1.1 m-85 -88.77 -39.42 13.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.627 ' HB3' ' HA ' ' A' ' 140' ' ' ILE . 79.0 t80 -65.44 -21.19 66.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . 0.663 ' N ' ' O ' ' A' ' 140' ' ' ILE . 1.1 tm-20 -49.0 -43.94 40.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 145' ' ' LYS . 8.9 pttt -176.84 68.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.64 ' HB ' ' O ' ' A' ' 142' ' ' TYR . 9.1 p -109.15 -10.2 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.94 11.28 53.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . 0.479 ' OD1' ' CG ' ' A' ' 128' ' ' PRO . 32.3 m-20 -93.48 94.78 8.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 0.755 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 150' ' ' SER . 0.8 OUTLIER -100.53 100.31 11.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.424 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 149' ' ' THR . 1.3 t 157.27 -52.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.601 ' O ' ' CE1' ' A' ' 143' ' ' PHE . 0.1 OUTLIER -88.81 119.78 29.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -127.07 170.82 9.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . 0.516 ' HD3' ' CE2' ' A' ' 143' ' ' PHE . 18.5 Cg_endo -74.93 -9.9 21.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.04 -8.76 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.249 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -142.82 30.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.498 ' CD2' ' O ' ' A' ' 153' ' ' PRO . 0.6 OUTLIER -55.44 -169.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 111.029 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.472 ' HB2' ' CD2' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -121.27 -2.17 9.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.657 ' CE2' ' HA ' ' A' ' 136' ' ' LYS . 66.1 m-85 -49.14 113.3 0.77 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' THR . . . . . 0.537 ' OG1' ' CG2' ' A' ' 123' ' ' VAL . 21.5 p -108.34 -92.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 110.397 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.591 HG13 ' CG2' ' A' ' 123' ' ' VAL . 7.8 p -49.04 -22.57 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.535 ' CG2' ' HB ' ' A' ' 123' ' ' VAL . 2.8 t -120.78 20.77 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 158' ' ' PHE . . . -137.34 -78.03 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -9.25 58.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 0.732 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 110.953 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.72 ' O ' ' CG ' ' A' ' 105' ' ' TRP . 0.0 OUTLIER 61.39 91.49 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 105' ' ' TRP . 1.2 p -162.09 179.07 8.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.585 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -88.16 128.13 35.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.327 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.697 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.6 OUTLIER -111.39 130.06 55.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.637 ' CD2' ' HB3' ' A' ' 121' ' ' TYR . 2.1 tt -101.74 142.57 32.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 122' ' ' ASP . 1.6 mtpt -151.27 -174.65 4.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -95.15 138.58 32.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.17 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.471 ' NE ' ' O ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -110.83 -176.47 2.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.52 177.28 4.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.2 m 38.32 57.98 1.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.0 110.027 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 117' ' ' SER . . . -134.85 54.84 0.75 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? 64.92 -75.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.766 . . . . 0.0 110.226 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 115' ' ' GLY . 42.7 t -123.52 55.36 1.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.061 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.62 157.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 165.17 -58.81 0.25 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.552 1.158 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.471 ' O ' ' NE ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -80.76 142.79 33.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.637 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 15.5 m-85 -52.67 -171.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 111.069 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.704 ' C ' HG13 ' A' ' 160' ' ' VAL . 0.5 OUTLIER -140.99 153.17 45.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.625 ' N ' ' CG1' ' A' ' 160' ' ' VAL . 0.9 OUTLIER -107.37 150.21 10.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.697 ' N ' ' O ' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -130.45 124.5 32.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.482 HD23 ' CB ' ' A' ' 157' ' ' ASP . 81.8 mt -95.54 113.64 25.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.598 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 3.2 mt -96.26 122.47 47.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.537 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 1.0 OUTLIER -73.16 179.66 1.09 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.537 ' CD ' ' CB ' ' A' ' 127' ' ' ASN . 18.3 Cg_endo -75.0 1.86 7.27 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.479 1.778 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -100.29 -27.37 13.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 118.22 1.68 16.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.598 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -84.57 132.98 34.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 0.809 . . . . 0.0 109.25 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.546 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -103.87 143.03 33.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.597 ' CD1' ' HB3' ' A' ' 138' ' ' GLU . 7.3 m-85 -114.63 125.81 54.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 4.6 mtp180 -93.15 -4.16 52.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.52 146.16 37.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.499 ' HE2' ' CE2' ' A' ' 156' ' ' PHE . 14.9 ttmt -69.49 -27.94 65.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.2 p -59.47 -41.29 84.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.238 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.597 ' HB3' ' CD1' ' A' ' 133' ' ' PHE . 4.5 tp10 -62.07 -23.6 66.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.465 ' O ' ' HB3' ' A' ' 143' ' ' PHE . 11.7 tp -60.44 -48.18 82.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.788 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.3 OUTLIER -61.53 -45.33 98.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -44.31 -49.14 9.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . 0.582 ' O ' ' CG1' ' A' ' 146' ' ' VAL . 0.2 OUTLIER -87.12 -28.72 22.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 111.036 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.679 ' HB3' ' HA ' ' A' ' 140' ' ' ILE . 6.4 t80 -80.51 -20.17 44.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . 0.788 ' N ' ' O ' ' A' ' 140' ' ' ILE . 2.5 tm-20 -48.67 -50.34 33.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.07 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 0.0 OUTLIER 169.19 41.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.582 ' CG1' ' O ' ' A' ' 142' ' ' TYR . 0.9 OUTLIER -87.68 -11.02 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 147.88 -40.61 0.95 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.443 1.089 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . 0.461 ' CG ' ' N ' ' A' ' 149' ' ' THR . 0.0 OUTLIER 55.42 168.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' THR . . . . . 0.546 ' CG2' ' N ' ' A' ' 150' ' ' SER . 0.6 OUTLIER -158.68 -72.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.475 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.546 ' N ' ' CG2' ' A' ' 149' ' ' THR . 9.9 t -159.98 34.23 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.009 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.489 ' CD2' ' OD1' ' A' ' 127' ' ' ASN . 0.2 OUTLIER -138.86 112.55 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . 0.58 ' OD1' ' CZ ' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -125.21 168.76 12.69 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . 0.613 ' O ' ' CE2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -74.98 -6.0 17.51 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -100.91 -13.26 18.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.04 18.6 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.834 ' CE1' ' CE1' ' A' ' 158' ' ' PHE . 0.0 OUTLIER -55.54 -172.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.928 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.482 ' CB ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -124.51 0.42 8.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.834 ' CE1' ' CE1' ' A' ' 156' ' ' PHE . 0.1 OUTLIER -38.36 103.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 111.056 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' THR . . . . . 0.555 ' OG1' ' CG2' ' A' ' 123' ' ' VAL . 0.7 OUTLIER -108.8 -95.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.396 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.704 HG13 ' C ' ' A' ' 122' ' ' ASP . 10.6 p -49.53 -38.63 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.474 ' N ' HG12 ' A' ' 160' ' ' VAL . 8.3 t -91.42 -23.97 19.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.411 1.069 . . . . 0.0 110.375 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . 0.458 ' CA ' ' HB2' ' A' ' 158' ' ' PHE . . . -70.41 -41.95 66.0 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -76.31 -24.17 54.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.15 . . . . 0.0 110.965 179.942 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 105' ' ' TRP . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.717 ' CE3' ' O ' ' A' ' 126' ' ' ILE . 1.8 p-90 178.77 152.91 0.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.542 ' N ' ' CE3' ' A' ' 105' ' ' TRP . 1.6 p -152.47 169.18 23.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -95.81 120.2 35.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.636 ' N ' ' O ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -107.84 138.05 44.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.577 HD11 HG13 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -94.94 143.37 26.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.459 ' HG3' ' CB ' ' A' ' 122' ' ' ASP . 0.0 OUTLIER -131.89 167.87 18.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.579 ' HB2' ' CE2' ' A' ' 121' ' ' TYR . 35.3 tt0 -95.23 135.52 36.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.344 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER 162.52 135.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.267 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -152.09 -77.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.395 1.059 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 115' ' ' GLY . 25.6 t -179.05 36.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 117' ' ' SER . . . 43.64 -168.53 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? 62.7 -76.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.4 0.706 . . . . 0.0 110.347 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 115' ' ' GLY . 35.4 t -132.41 51.79 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 110.059 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 113' ' ' LYS . . . -55.78 -104.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 92.62 -54.99 2.7 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.39 144.18 44.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 0.808 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' A' ' 111' ' ' GLN . 3.0 m-85 -101.96 -174.14 2.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.623 ' C ' HG12 ' A' ' 160' ' ' VAL . 0.1 OUTLIER -119.0 155.91 30.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.367 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.634 ' CG2' HG13 ' A' ' 160' ' ' VAL . 0.9 OUTLIER -101.18 149.44 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.636 ' O ' ' N ' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -136.47 120.5 17.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 110.999 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 133' ' ' PHE . 63.3 mt -105.4 116.63 32.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.717 ' O ' ' CE3' ' A' ' 105' ' ' TRP . 2.4 mt -92.03 149.41 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.641 ' ND2' ' CE2' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -102.83 178.47 1.19 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.211 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 127' ' ' ASN . 18.4 Cg_endo -75.01 44.81 1.23 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.51 1.794 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.409 ' H ' ' C ' ' A' ' 127' ' ' ASN . 39.5 mt-30 -145.9 -45.66 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 143.5 -15.61 2.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.682 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 5.9 ttmt -68.41 146.76 52.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.605 ' HB2' ' CD2' ' A' ' 124' ' ' TYR . . . -122.19 131.06 53.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.641 ' CE2' ' ND2' ' A' ' 127' ' ' ASN . 12.4 m-85 -96.53 125.01 40.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.573 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 4.0 mtp-105 -81.93 -19.87 39.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.485 ' OG ' ' CG1' ' A' ' 137' ' ' VAL . 39.0 t -143.35 151.66 40.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.945 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.587 ' HD2' ' CE1' ' A' ' 156' ' ' PHE . 12.7 ttpt -64.13 -25.62 68.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.485 ' CG1' ' OG ' ' A' ' 135' ' ' SER . 2.3 p -57.84 -46.67 87.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.14 -23.95 57.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 133' ' ' PHE . 12.6 tp -59.23 -48.93 79.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.758 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -60.39 -46.27 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.376 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -44.16 -47.75 9.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . 0.595 ' O ' ' CG1' ' A' ' 146' ' ' VAL . 0.1 OUTLIER -82.49 -29.12 30.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.611 1.195 . . . . 0.0 110.937 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.528 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -81.26 -21.57 39.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . 0.758 ' N ' ' O ' ' A' ' 140' ' ' ILE . 0.2 OUTLIER -50.16 -52.5 34.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.643 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 0.0 OUTLIER 172.2 58.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.595 ' CG1' ' O ' ' A' ' 142' ' ' TYR . 1.4 p -106.15 -11.61 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 92.96 45.0 3.71 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.66 161.21 13.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' A' ' 149' ' ' THR . 0.3 OUTLIER -162.49 102.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.435 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.469 ' HG ' ' N ' ' A' ' 151' ' ' LEU . 10.2 t 169.73 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.469 ' N ' ' HG ' ' A' ' 150' ' ' SER . 0.7 OUTLIER -98.84 134.99 40.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . 0.415 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . 0.3 OUTLIER -124.43 173.52 4.62 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 152' ' ' ASP . 18.3 Cg_endo -74.93 -3.18 13.53 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.515 1.798 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.47 -5.28 27.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.4 33.49 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.587 ' CE1' ' HD2' ' A' ' 136' ' ' LYS . 54.7 p90 -70.88 -160.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.481 ' O ' ' HB3' ' A' ' 158' ' ' PHE . 0.0 OUTLIER -146.06 160.68 41.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.701 ' CD1' ' O ' ' A' ' 158' ' ' PHE . 0.1 OUTLIER 177.46 111.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 110.986 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' THR . . . . . 0.558 ' OG1' ' CG2' ' A' ' 123' ' ' VAL . 24.8 p -106.8 -92.33 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.634 HG13 ' CG2' ' A' ' 123' ' ' VAL . 9.3 p -49.02 -21.62 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.358 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.471 ' CG2' ' HB ' ' A' ' 123' ' ' VAL . 1.7 t -117.94 20.14 13.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . 0.647 ' CA ' ' CD2' ' A' ' 158' ' ' PHE . . . -137.13 -134.42 3.27 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -11.78 59.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 0.812 . . . . 0.0 110.309 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.442 ' O ' ' CG2' ' A' ' 106' ' ' THR . 0.0 OUTLIER -45.64 129.92 8.94 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.442 ' CG2' ' O ' ' A' ' 105' ' ' TRP . 1.6 p -158.41 174.63 14.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.429 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.507 ' HB2' ' CD2' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -90.94 129.4 36.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 110.339 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.603 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -117.94 125.68 50.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.572 ' CD2' ' CB ' ' A' ' 121' ' ' TYR . 0.7 OUTLIER -95.08 141.62 28.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 122' ' ' ASP . 0.7 OUTLIER -160.0 150.08 18.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -100.7 136.95 39.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.227 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.15 57.28 1.06 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -61.77 122.22 14.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.41 38.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.964 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 116' ' ' ARG . . . 73.6 -56.57 2.08 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 115' ' ' GLY . 0.2 OUTLIER -37.87 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 0.773 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.7 t -126.66 74.12 1.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.965 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -101.64 126.36 48.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 148.46 -63.26 0.42 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.58 151.46 21.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 0.777 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.572 ' CB ' ' CD2' ' A' ' 109' ' ' LEU . 17.8 m-85 -80.28 -167.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.653 ' C ' HG11 ' A' ' 160' ' ' VAL . 0.3 OUTLIER -147.74 152.02 37.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.689 ' CG2' HG12 ' A' ' 160' ' ' VAL . 1.2 t -102.46 147.23 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.603 ' N ' ' O ' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -132.54 122.39 24.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.967 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.507 ' CD2' ' HB2' ' A' ' 107' ' ' ARG . 50.0 mt -97.44 113.19 24.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.595 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 2.6 mt -92.01 119.98 40.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 109.219 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.587 ' HB2' ' HD2' ' A' ' 128' ' ' PRO . 4.1 p-10 -70.7 176.47 1.94 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.587 ' HD2' ' HB2' ' A' ' 127' ' ' ASN . 17.8 Cg_endo -75.05 53.1 3.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.541 1.811 . . . . 0.0 110.968 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.436 ' HB2' ' OD1' ' A' ' 127' ' ' ASN . 25.1 mt-30 -153.26 -44.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 141.88 -15.28 2.62 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.65 ' CD ' ' CE1' ' A' ' 142' ' ' TYR . 0.0 OUTLIER -72.68 138.28 46.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.6 ' HB3' ' CD1' ' A' ' 124' ' ' TYR . . . -104.46 147.89 27.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 127' ' ' ASN . 25.5 m-85 -118.77 125.73 50.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 111.047 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.48 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 17.1 mtp180 -99.25 -7.61 26.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 36.5 p -141.38 147.22 37.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.973 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.665 ' CD ' ' CE2' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -63.46 -29.46 70.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.46 -48.16 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.57 -22.87 62.36 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.547 1.155 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.637 ' HG ' ' CE2' ' A' ' 143' ' ' PHE . 12.0 tp -60.3 -50.5 73.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.229 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.707 ' HA ' ' HB2' ' A' ' 143' ' ' PHE . 0.1 OUTLIER -70.67 -42.49 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -46.58 -48.54 19.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.382 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . 0.65 ' CE1' ' CD ' ' A' ' 131' ' ' LYS . 0.3 OUTLIER -83.88 -28.3 28.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.707 ' HB2' ' HA ' ' A' ' 140' ' ' ILE . 6.6 m-30 -79.61 -21.43 44.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.142 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . 0.703 ' N ' ' O ' ' A' ' 140' ' ' ILE . 1.0 OUTLIER -57.15 -28.5 62.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 0.0 110.305 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 146' ' ' VAL . 0.4 OUTLIER -94.1 -48.85 6.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.521 ' CG1' ' HA ' ' A' ' 143' ' ' PHE . 7.5 p -84.64 12.06 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.687 ' N ' ' O ' ' A' ' 143' ' ' PHE . . . 37.58 38.7 0.47 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . 0.589 ' HB2' ' CD2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER 56.92 163.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 0.726 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' THR . . . . . 0.503 ' O ' ' CB ' ' A' ' 150' ' ' SER . 0.3 OUTLIER -160.17 103.98 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.42 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 149' ' ' THR . 1.4 t 85.9 -56.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.402 ' O ' ' OD1' ' A' ' 148' ' ' ASP . 0.3 OUTLIER -107.59 137.67 45.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . 0.479 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . 0.4 OUTLIER -126.28 177.07 2.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 152' ' ' ASP . 18.3 Cg_endo -74.96 -5.08 16.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.787 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -104.26 -7.51 20.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -147.24 42.0 1.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.665 ' CE2' ' CD ' ' A' ' 136' ' ' LYS . 7.0 p90 -77.22 -169.8 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.497 ' HB3' ' CD2' ' A' ' 125' ' ' LEU . 10.0 t0 -107.54 -99.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' A' ' 136' ' ' LYS . 68.4 m-85 57.24 104.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' THR . . . . . 0.719 ' OG1' ' N ' ' A' ' 160' ' ' VAL . 1.2 p -112.08 -82.78 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.719 ' N ' ' OG1' ' A' ' 159' ' ' THR . 14.7 p -50.5 -39.98 18.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.498 ' N ' HG13 ' A' ' 160' ' ' VAL . 15.4 t -95.41 -22.95 17.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . 0.534 ' HA3' ' O ' ' A' ' 158' ' ' PHE . . . -75.13 -3.57 69.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.67 -9.65 59.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.613 ' CH2' ' CG ' ' A' ' 157' ' ' ASP . 0.0 OUTLIER -179.03 111.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.508 ' N ' ' CE3' ' A' ' 105' ' ' TRP . 6.9 t -152.54 146.54 25.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.572 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 5.5 ptp180 -94.75 128.26 41.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.611 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -111.71 122.76 48.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.622 ' CD2' ' HB3' ' A' ' 121' ' ' TYR . 2.2 tt -97.88 143.17 28.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.425 1.078 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.454 ' O ' ' HB3' ' A' ' 121' ' ' TYR . 4.0 mtpt -152.01 -174.67 4.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -93.58 128.64 39.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.327 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -60.23 2.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.9 156.6 45.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.92 39.56 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.954 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 116' ' ' ARG . . . 174.94 -73.4 0.08 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.606 1.191 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 115' ' ' GLY . 0.2 OUTLIER -38.94 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 0.784 . . . . 0.0 110.252 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 118' ' ' ALA . 47.8 t -127.87 39.53 3.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.977 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 117' ' ' SER . . . -39.91 139.0 0.71 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.2 -109.84 0.25 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.76 148.09 27.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.622 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 40.0 m-85 -53.22 -171.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.683 ' C ' HG12 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -139.28 153.53 47.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.612 ' CG2' HG13 ' A' ' 160' ' ' VAL . 1.0 OUTLIER -111.38 150.19 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.611 ' N ' ' O ' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -129.82 122.25 28.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 111.033 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.515 ' CD1' ' OD2' ' A' ' 157' ' ' ASP . 66.0 mt -92.84 113.01 25.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.521 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 4.5 mt -94.37 123.39 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.545 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 1.0 OUTLIER -77.07 -179.97 1.4 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 127' ' ' ASN . 18.4 Cg_endo -75.02 1.51 7.67 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.564 1.823 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.41 -12.35 16.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.247 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 98.76 15.1 35.09 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.1 OUTLIER -93.94 124.69 38.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.524 ' HB2' ' CE1' ' A' ' 124' ' ' TYR . . . -94.25 140.85 29.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.842 ' CE1' ' CD2' ' A' ' 142' ' ' TYR . 6.3 m-85 -116.52 125.62 52.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.532 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 8.2 mtm180 -98.32 -9.43 25.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.204 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.4 t -142.5 148.1 37.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.974 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.579 ' HG3' ' CD1' ' A' ' 156' ' ' PHE . 1.2 tttm -63.94 -30.88 71.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 1.9 p -59.55 -46.49 92.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.599 ' O ' ' CD2' ' A' ' 142' ' ' TYR . 0.1 OUTLIER -62.63 -22.76 66.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.579 ' HG ' ' CE2' ' A' ' 143' ' ' PHE . 14.3 tp -58.23 -49.31 77.54 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.714 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -63.99 -48.0 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -48.98 -48.23 43.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . 0.842 ' CD2' ' CE1' ' A' ' 133' ' ' PHE . 35.5 m-85 -78.89 -29.21 44.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.742 ' O ' ' N ' ' A' ' 147' ' ' GLY . 5.5 m-30 -81.24 -22.91 38.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . 0.714 ' N ' ' O ' ' A' ' 140' ' ' ILE . 1.1 tm-20 -55.37 -29.02 57.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.499 ' CG ' ' N ' ' A' ' 146' ' ' VAL . 0.0 OUTLIER -89.82 -51.93 5.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.203 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.499 ' N ' ' CG ' ' A' ' 145' ' ' LYS . 12.3 p -84.61 12.46 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.742 ' N ' ' O ' ' A' ' 143' ' ' PHE . . . 37.7 32.46 0.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . 0.599 ' HB2' ' CD2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER 64.82 157.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.77 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' THR . . . . . 0.468 ' O ' ' CG2' ' A' ' 149' ' ' THR . 0.3 OUTLIER -156.48 105.96 2.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.439 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 149' ' ' THR . 0.1 OUTLIER 82.52 -71.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.26 128.72 34.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 155' ' ' ASP . 11.0 p30 -102.13 156.41 35.27 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . 0.511 ' O ' ' CE ' ' A' ' 136' ' ' LYS . 18.2 Cg_endo -74.94 -15.97 20.6 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.609 1.847 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -80.63 -12.46 59.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . 0.464 ' N ' ' OD2' ' A' ' 152' ' ' ASP . 0.3 OUTLIER -151.74 30.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.671 ' CZ ' ' HB3' ' A' ' 158' ' ' PHE . 5.7 p90 -48.85 146.94 2.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.613 ' CG ' ' CH2' ' A' ' 105' ' ' TRP . 0.0 OUTLIER -61.94 79.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.944 ' CD1' ' O ' ' A' ' 158' ' ' PHE . 0.1 OUTLIER -95.8 114.67 26.43 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' THR . . . . . 0.557 ' OG1' ' CG2' ' A' ' 123' ' ' VAL . 1.1 p -108.6 -112.73 0.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.683 HG12 ' C ' ' A' ' 122' ' ' ASP . 10.3 p -51.96 -38.19 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.49 ' N ' HG11 ' A' ' 160' ' ' VAL . 8.7 t -93.53 13.85 20.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 0.0 110.419 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . 0.622 ' CA ' ' CD2' ' A' ' 158' ' ' PHE . . . -115.18 -98.85 2.21 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -25.03 51.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 160' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TRP . . . . . 0.579 ' CE3' ' HA ' ' A' ' 127' ' ' ASN . 2.2 t90 -78.24 140.03 38.9 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . 0.542 ' CG2' ' O ' ' A' ' 105' ' ' TRP . 21.7 p -158.88 143.09 15.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.517 ' HG2' ' CD2' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -93.94 124.79 38.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.64 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -114.27 122.33 46.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.586 ' CD2' ' HB3' ' A' ' 121' ' ' TYR . 5.8 tt -96.64 143.93 27.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.62 150.42 19.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -100.92 136.66 40.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -40.66 -47.17 2.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 114' ' ' SER . 0.4 OUTLIER 62.72 135.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.183 . . . . 0.0 109.24 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 0.5 OUTLIER 160.65 -32.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.043 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 102.24 -43.16 1.75 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.455 1.097 . . . . 0.0 111.051 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -38.53 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 110.324 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.4 t -126.98 70.18 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -96.24 138.38 33.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 173.73 -56.4 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -97.56 153.59 18.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.586 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 0.9 OUTLIER -103.61 -166.03 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.404 1.065 . . . . 0.0 111.027 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.631 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 1.3 t70 -148.71 143.68 26.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.62 ' N ' ' CG1' ' A' ' 160' ' ' VAL . 1.1 t -103.25 135.99 38.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.64 ' N ' ' O ' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -115.8 124.76 51.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.555 HD12 ' CD2' ' A' ' 158' ' ' PHE . 50.5 mt -95.28 114.02 25.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ILE . . . . . 0.713 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 4.9 mt -90.6 118.55 36.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASN . . . . . 0.741 ' HB2' ' CD ' ' A' ' 128' ' ' PRO . 4.5 p30 -88.87 -170.16 0.24 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.768 ' O ' ' CB ' ' A' ' 129' ' ' GLN . 18.3 Cg_endo -74.95 123.67 8.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.768 ' CB ' ' O ' ' A' ' 128' ' ' PRO . 24.0 mt-30 117.93 -12.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 110.222 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 100.4 12.35 38.91 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.396 1.06 . . . . 0.0 111.068 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.713 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 1.8 ttmt -79.11 145.66 33.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 0.796 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . 0.545 ' HB1' ' CE1' ' A' ' 124' ' ' TYR . . . -121.26 152.77 38.5 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' PHE . . . . . 0.569 ' CE1' ' HD3' ' A' ' 131' ' ' LYS . 13.2 m-85 -128.05 125.48 39.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ARG . . . . . 0.511 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 2.6 mtp-105 -102.34 1.15 35.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.467 ' HB3' ' CG1' ' A' ' 137' ' ' VAL . 0.4 OUTLIER -141.79 147.83 37.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.058 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.609 ' HA ' ' CE2' ' A' ' 158' ' ' PHE . 12.9 ttpt -68.73 -21.01 64.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 135' ' ' SER . 2.4 p -66.22 -44.91 91.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.569 ' HB3' ' CD1' ' A' ' 133' ' ' PHE . 2.5 tp10 -60.67 -24.01 65.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.322 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 143' ' ' PHE . 10.9 tp -62.39 -49.02 77.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ILE . . . . . 0.771 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -62.37 -44.66 99.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -42.7 -50.52 5.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . 0.66 ' CE2' ' ND2' ' A' ' 127' ' ' ASN . 0.2 OUTLIER -89.02 -28.6 20.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.728 ' HB3' ' HA ' ' A' ' 140' ' ' ILE . 45.9 t80 -78.3 -20.59 51.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . 0.771 ' N ' ' O ' ' A' ' 140' ' ' ILE . 4.9 tm-20 -49.89 -50.59 45.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' LYS . . . . . 0.592 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 0.0 OUTLIER 170.23 49.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' VAL . . . . . 0.603 ' CG1' ' O ' ' A' ' 142' ' ' TYR . 1.3 p -96.5 -10.98 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 110.44 48.32 0.76 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.147 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ASP . . . . . 0.448 ' OD2' ' CG1' ' A' ' 146' ' ' VAL . 44.3 m-20 -129.59 115.97 18.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 0.805 . . . . 0.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 150' ' ' SER . 0.6 OUTLIER -126.43 105.58 8.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.454 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 149' ' ' THR . 3.8 t 161.85 -66.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.127 . . . . 0.0 110.015 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' LEU . . . . . 0.573 HD11 ' CZ2' ' A' ' 105' ' ' TRP . 2.2 mt -84.5 139.54 32.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . 0.506 ' HA ' ' CE1' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -127.96 154.87 78.37 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -6.05 17.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.791 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' A' ' 155' ' ' ASP . 14.7 t30 -97.09 -10.27 26.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 154' ' ' ASN . 0.8 OUTLIER -154.02 44.15 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.264 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 158' ' ' PHE . 7.6 p90 -54.96 -169.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.482 ' HB2' ' CD2' ' A' ' 125' ' ' LEU . 58.4 m-20 -112.7 -14.01 13.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.609 ' CE2' ' HA ' ' A' ' 136' ' ' LYS . 70.0 m-85 -44.24 117.56 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' THR . . . . . 0.525 ' OG1' HG23 ' A' ' 123' ' ' VAL . 61.8 p -110.08 -86.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.631 ' CG1' ' C ' ' A' ' 122' ' ' ASP . 6.2 p -50.22 -27.22 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.067 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' THR . . . . . 0.52 ' HB ' ' H ' ' A' ' 123' ' ' VAL . 7.3 t -120.38 21.52 11.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' GLY . . . . . 0.497 ' HA3' ' O ' ' A' ' 158' ' ' PHE . . . -138.19 -77.42 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.427 1.079 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.0 -11.06 59.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 0.769 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -177.93 3.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.13 156.17 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 76' ' ' PRO . 2.8 p -171.65 140.46 1.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 75' ' ' VAL . 18.3 Cg_endo -75.02 -47.84 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.455 1.766 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.36 -179.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 55.19 65.26 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.8 t -169.93 88.12 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' SER . . . -158.94 149.03 19.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER 37.8 74.35 0.64 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 64.16 6.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm 66.24 152.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -128.42 -44.98 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 66.38 30.46 8.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -94.67 141.19 28.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.54 169.71 23.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.1 mp -94.2 91.16 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 1.5 pp -61.33 174.34 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.54 171.85 7.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -57.95 109.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 39.27 55.55 2.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 58.58 162.67 0.06 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 169.62 22.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.538 1.81 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 2.1 mtt -97.23 -23.84 15.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -70.26 -166.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -69.49 -153.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.501 ' N ' ' CD ' ' A' ' 99' ' ' PRO . 0.1 OUTLIER 163.59 -52.19 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 98' ' ' ASP . 18.3 Cg_endo -75.03 82.36 2.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.494 1.787 . . . . 0.0 111.042 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 77.4 p -121.72 -136.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.429 ' C ' ' CD2' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -94.71 158.26 35.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 84.02 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.07 -49.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 165.94 -127.93 1.69 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.623 ' CE3' ' HD3' ' A' ' 128' ' ' PRO . 2.0 t90 63.96 125.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.7 m -159.02 149.91 19.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.413 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 107' ' ' ARG . 1.3 ttp85 -94.71 126.6 40.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.769 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -115.69 136.0 53.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.592 HD22 ' CB ' ' A' ' 121' ' ' TYR . 6.4 tt -112.63 143.74 43.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.088 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 122' ' ' ASP . 2.8 mmtt -151.42 -179.76 7.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -85.42 136.33 33.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -93.67 40.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 114' ' ' SER . 0.9 OUTLIER -43.9 165.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 1.1 t 86.0 46.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.098 . . . . 0.0 110.054 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 117' ' ' SER . . . -145.55 51.45 0.6 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.515 1.135 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 65.52 -73.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 110.27 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 115' ' ' GLY . 42.5 t -127.35 23.33 6.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 39.63 -154.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 166.41 -109.1 0.34 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -76.9 152.86 35.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.592 ' CB ' HD22 ' A' ' 109' ' ' LEU . 12.5 m-85 -70.07 -159.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.646 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 0.3 OUTLIER -148.11 141.39 25.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.638 ' N ' ' CG1' ' A' ' 160' ' ' VAL . 1.2 t -97.6 148.46 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.769 ' N ' ' O ' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -131.21 123.96 29.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.037 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.459 ' O ' ' CD2' ' A' ' 133' ' ' PHE . 81.6 mt -98.67 113.92 26.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.625 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 2.9 mt -92.47 122.78 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.467 ' ND2' ' HD2' ' A' ' 128' ' ' PRO . 0.5 OUTLIER -72.32 175.22 3.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.623 ' HD3' ' CE3' ' A' ' 105' ' ' TRP . 18.2 Cg_endo -74.99 62.08 5.78 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.86 -38.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 137.74 -7.46 3.58 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.625 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -72.23 127.49 32.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.556 ' HB3' ' CD1' ' A' ' 124' ' ' TYR . . . -101.72 147.14 26.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.459 ' CD2' ' O ' ' A' ' 125' ' ' LEU . 31.1 m-85 -116.35 123.94 48.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.6 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 4.7 mtm180 -109.66 -4.7 15.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.51 ' HB3' ' CG1' ' A' ' 137' ' ' VAL . 72.7 m -141.28 146.56 36.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -63.23 -19.74 64.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.51 ' CG1' ' HB3' ' A' ' 135' ' ' SER . 0.2 OUTLIER -70.29 -50.34 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -59.87 -23.19 63.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.689 ' CD1' ' CZ ' ' A' ' 143' ' ' PHE . 11.4 tp -61.84 -50.13 73.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.756 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.2 OUTLIER -61.08 -46.12 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -41.6 -49.52 4.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.711 ' O ' ' CG1' ' A' ' 146' ' ' VAL . 2.0 m-85 -89.77 -31.55 17.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.689 ' CZ ' ' CD1' ' A' ' 139' ' ' LEU . 3.3 m-85 -75.72 -19.29 59.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.756 ' N ' ' O ' ' A' ' 140' ' ' ILE . 0.8 OUTLIER -47.04 -50.18 19.93 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 3.5 ptmt 177.61 57.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.711 ' CG1' ' O ' ' A' ' 142' ' ' TYR . 0.8 OUTLIER -109.63 -10.22 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 142.43 -70.59 0.42 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . 0.431 ' OD2' ' HA ' ' A' ' 143' ' ' PHE . 70.7 m-20 58.51 161.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' A' ' 150' ' ' SER . 0.7 OUTLIER -106.23 -69.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.46 ' N ' ' CG2' ' A' ' 149' ' ' THR . 46.4 t -169.16 51.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.531 HD23 ' CH2' ' A' ' 105' ' ' TRP . 0.5 OUTLIER -141.33 132.94 27.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . 0.554 ' HD2' ' N ' ' A' ' 155' ' ' ASP . 2.4 p-10 -103.84 166.36 11.82 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.445 ' HD2' ' HB2' ' A' ' 152' ' ' ASP . 18.3 Cg_endo -74.99 -19.68 17.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.508 ' CB ' ' OD1' ' A' ' 152' ' ' ASP . 7.9 t30 -72.74 -8.65 56.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . 0.554 ' N ' ' HD2' ' A' ' 152' ' ' ASP . 6.8 t70 -153.55 50.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' A' ' 158' ' ' PHE . 2.9 p90 -48.87 -177.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.458 ' HB2' ' CD2' ' A' ' 125' ' ' LEU . 9.7 m-20 -104.77 -9.11 18.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.588 ' HB2' ' CD1' ' A' ' 156' ' ' PHE . 5.7 m-30 -46.44 124.22 5.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' THR . . . . . 0.53 ' OG1' ' CG2' ' A' ' 123' ' ' VAL . 72.5 p -110.51 -85.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.646 ' CG1' ' C ' ' A' ' 122' ' ' ASP . 6.1 p -51.9 -27.52 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.446 ' HB ' ' H ' ' A' ' 123' ' ' VAL . 9.3 t -119.08 20.46 12.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . 0.514 ' HA3' ' O ' ' A' ' 158' ' ' PHE . . . -131.84 -76.2 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.21 -10.51 59.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.22 -105.56 3.29 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.45 119.63 69.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.796 . . . . 0.0 110.027 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -48.89 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 5.3 t -45.87 -70.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.957 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.62 -160.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.23 179.4 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 110.354 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 75.4 120.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -146.37 153.83 40.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -138.47 149.18 61.92 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 154.88 43.16 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.498 1.788 . . . . 0.0 111.039 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -162.24 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.36 92.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.59 154.1 18.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -109.62 -174.85 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.34 165.49 23.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 63.5 p -172.1 115.11 0.4 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 157.83 42.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.445 1.761 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.16 113.97 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.0 95.07 0.21 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.024 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -52.35 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 185' ' ' SER . . . 149.83 -127.84 2.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.569 1.168 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 184' ' ' GLY . 1.4 t 84.73 87.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.97 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -157.06 158.48 28.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.68 173.43 6.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 151.56 118.36 0.8 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.11 -67.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.787 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . 103.61 168.04 25.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.8 164.71 30.71 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 110.249 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 119.86 5.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.08 122.84 17.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . -92.92 -89.19 1.56 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.466 1.103 . . . . 0.0 111.027 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 36.5 m -101.65 97.96 8.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.0 110.931 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 176.48 9.85 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.68 115.73 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -164.51 115.73 0.94 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -65.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.476 1.777 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 47.59 78.08 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.163 . . . . 0.0 110.265 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -139.85 156.08 46.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.18 82.34 0.36 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -140.44 175.42 9.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.36 168.95 15.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 158.83 41.86 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -124.67 158.15 33.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 58.95 154.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.79 23.22 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.49 124.49 22.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.89 -162.73 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.034 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.95 -74.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.442 ' CG1' ' H ' ' A' ' 90' ' ' ARG . 0.6 OUTLIER -149.2 -163.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.442 ' H ' ' CG1' ' A' ' 89' ' ' ILE . 3.5 tmm_? -143.78 -58.81 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.86 142.37 4.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -114.97 92.3 3.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -150.98 72.98 0.28 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 138.83 23.66 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.76 178.78 7.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -143.48 30.66 1.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 98' ' ' ASP . 15.3 m-20 -151.46 174.25 13.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 97' ' ' ASP . 16.8 t0 38.98 73.86 0.74 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.431 1.082 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 74.24 4.04 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.486 1.782 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.537 ' O ' ' C ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER 179.21 110.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.413 1.071 . . . . 0.0 110.451 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.537 ' C ' ' O ' ' A' ' 100' ' ' THR . 1.9 mt 29.2 60.89 0.78 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.414 1.071 . . . . 0.0 109.316 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.492 ' HD3' ' N ' ' A' ' 101' ' ' LEU . 18.1 Cg_endo -75.01 3.81 5.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.469 1.773 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.413 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER 169.24 -36.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.463 ' O ' ' CB ' ' A' ' 105' ' ' TRP . . . -167.27 -59.77 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.057 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.609 ' CD1' ' C ' ' A' ' 105' ' ' TRP . 0.0 OUTLIER 164.66 124.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 11.4 m -153.5 173.75 15.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.518 ' CG ' ' CD2' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -91.49 128.9 37.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.588 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -111.15 125.87 54.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.546 ' HG ' ' CG1' ' A' ' 160' ' ' VAL . 6.3 tt -102.78 143.27 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 122' ' ' ASP . 2.3 mtpt -153.04 171.96 17.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.462 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 1.8 mt-30 -87.11 130.98 34.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.26 8.82 40.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.473 ' HA ' ' CB ' ' A' ' 118' ' ' ALA . 6.9 ttpt -41.6 -78.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER 39.08 29.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.03 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 113' ' ' LYS . . . -148.38 -91.08 0.09 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.25 -70.32 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 0.729 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 118' ' ' ALA . 47.0 t -128.77 48.95 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 113' ' ' LYS . . . -37.09 -88.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 173.05 -101.68 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.592 1.183 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 121' ' ' TYR . 0.2 OUTLIER -103.11 155.97 18.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 0.724 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.543 ' CB ' HD23 ' A' ' 109' ' ' LEU . 8.1 m-85 -55.94 -155.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.625 ' C ' HG12 ' A' ' 160' ' ' VAL . 0.3 OUTLIER -148.76 150.15 32.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.623 ' CG2' HG13 ' A' ' 160' ' ' VAL . 1.2 t -108.54 148.97 12.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.588 ' N ' ' O ' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -133.66 123.02 24.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 110.981 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.518 ' CD2' ' CG ' ' A' ' 107' ' ' ARG . 55.3 mt -96.51 114.12 25.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 10.0 mt -95.85 119.93 44.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.519 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 1.0 OUTLIER -70.71 179.25 0.91 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.519 ' CD ' ' CB ' ' A' ' 127' ' ' ASN . 18.3 Cg_endo -74.99 2.99 6.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.556 1.819 . . . . 0.0 110.976 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.48 ' NE2' ' OH ' ' A' ' 142' ' ' TYR . 0.0 OUTLIER -104.03 -22.51 13.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 111.37 10.02 20.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.595 1.185 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.584 ' HG2' ' CE1' ' A' ' 133' ' ' PHE . 1.1 ttmt -90.01 124.35 34.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.477 ' C ' ' CE1' ' A' ' 124' ' ' TYR . . . -94.65 139.24 31.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.584 ' CE1' ' HG2' ' A' ' 131' ' ' LYS . 26.8 m-85 -113.93 125.53 54.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 1.6 mtm180 -99.13 -7.61 26.39 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.48 ' HB3' ' CG1' ' A' ' 137' ' ' VAL . 0.4 OUTLIER -141.58 147.74 38.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.049 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.663 ' CD ' ' CE2' ' A' ' 156' ' ' PHE . 12.0 ttpt -66.51 -21.75 66.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.087 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' A' ' 135' ' ' SER . 2.3 p -67.04 -46.86 83.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -24.27 65.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.553 HD11 ' CD2' ' A' ' 133' ' ' PHE . 11.9 tp -60.36 -48.77 80.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.774 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -61.77 -44.79 99.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -44.56 -49.89 9.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.602 ' O ' ' CG1' ' A' ' 146' ' ' VAL . 0.1 OUTLIER -86.39 -28.97 23.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.707 ' HB3' ' HA ' ' A' ' 140' ' ' ILE . 45.0 t80 -79.16 -21.28 46.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.774 ' N ' ' O ' ' A' ' 140' ' ' ILE . 0.8 OUTLIER -49.52 -45.4 47.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.358 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.609 ' CG ' ' O ' ' A' ' 145' ' ' LYS . 4.1 ttpt 162.08 66.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.602 ' CG1' ' O ' ' A' ' 142' ' ' TYR . 9.8 p -102.21 -8.03 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.12 3.4 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . 0.455 ' OD1' ' ND2' ' A' ' 127' ' ' ASN . 48.5 m-20 -138.41 124.74 20.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.791 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.48 108.44 9.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.9 t 169.78 -46.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.993 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.483 ' CD2' HD13 ' A' ' 139' ' ' LEU . 0.2 OUTLIER -100.75 110.46 22.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -107.45 178.74 1.01 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.616 ' O ' ' CD1' ' A' ' 156' ' ' PHE . 18.5 Cg_endo -74.96 -22.65 14.69 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -95.42 -13.23 24.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -100.25 -13.05 19.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.663 ' CE2' ' CD ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -52.28 142.64 16.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.979 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.531 ' O ' ' O ' ' A' ' 158' ' ' PHE . 1.2 p30 -85.94 -66.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.602 ' CD2' HG22 ' A' ' 161' ' ' THR . 0.6 OUTLIER 50.39 114.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' THR . . . . . 0.527 ' OG1' ' CG2' ' A' ' 123' ' ' VAL . 0.1 OUTLIER -104.74 -96.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.396 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.625 HG12 ' C ' ' A' ' 122' ' ' ASP . 13.7 p -49.86 -19.21 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.602 HG22 ' CD2' ' A' ' 158' ' ' PHE . 2.2 t -117.75 19.93 13.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . 0.494 ' HA3' ' HB3' ' A' ' 158' ' ' PHE . . . -127.4 -80.5 0.31 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.122 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -10.94 59.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 106.0 -84.89 0.42 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 67.1 m -100.51 141.84 23.46 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.512 0.772 . . . . 0.0 110.022 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -78.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.524 1.802 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.42 168.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.017 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 168' ' ' ARG . 1.7 ttm180 -176.27 58.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.62 172.11 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 110.25 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -175.37 107.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.19 154.37 50.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.35 87.19 0.23 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 149.75 37.12 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.479 1.779 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -164.34 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.423 1.749 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.19 -175.44 4.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.97 -73.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . 62.97 128.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -155.75 114.02 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 33.0 t -129.02 111.69 18.46 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.034 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -178.27 4.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.442 1.759 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.27 177.23 3.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 1.2 m -143.15 143.44 24.7 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.443 1.089 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -77.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.54 1.811 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 112.84 175.64 19.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.39 170.1 3.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 0.0 109.971 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -153.47 -151.91 5.87 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.422 1.076 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.99 169.87 18.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 0.799 . . . . 0.0 110.324 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -157.61 117.55 0.78 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . 0.451 ' CG ' ' N ' ' A' ' 190' ' ' GLY . 0.8 OUTLIER -117.98 -148.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 0.0 110.258 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' GLY . . . . . 0.451 ' N ' ' CG ' ' A' ' 189' ' ' ARG . . . -164.27 -117.5 0.41 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -150.88 137.86 11.67 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.448 0.734 . . . . 0.0 110.36 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.92 -179.04 4.57 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.16 -69.16 0.73 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 195' ' ' SER . . . 84.06 -143.65 21.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 194' ' ' GLY . 1.5 p 85.97 122.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.536 0.786 . . . . 0.0 109.999 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -60.04 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.22 176.71 2.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.0 p -147.1 68.31 11.32 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 176.82 9.42 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.541 1.811 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.33 75.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.351 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.84 124.1 50.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.2 p -106.56 -58.65 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.954 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 64.14 169.41 0.17 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.9 p -157.97 90.76 2.26 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.063 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 132.87 15.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' GLN . 12.9 mmtt -92.62 148.76 21.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 83' ' ' LYS . 12.6 mp0 -38.86 150.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.09 41.85 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -102.0 105.38 16.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.14 35.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.1 mt -105.32 60.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.48 HG12 ' N ' ' A' ' 90' ' ' ARG . 2.5 tt -44.88 -84.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.48 ' N ' HG12 ' A' ' 89' ' ' ILE . 0.2 OUTLIER 55.1 -158.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.31 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -148.34 109.35 4.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 93' ' ' GLY . 0.0 OUTLIER -84.41 86.74 7.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.441 1.088 . . . . 0.0 110.28 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 92' ' ' ARG . . . 54.34 166.61 0.03 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.554 1.159 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 89.4 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -109.56 -43.7 4.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -113.24 -170.73 1.74 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.447 ' OD2' ' N ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -103.95 -164.06 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.558 ' CB ' ' HD3' ' A' ' 99' ' ' PRO . 0.1 OUTLIER 172.41 -55.19 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.558 ' HD3' ' CB ' ' A' ' 98' ' ' ASP . 18.4 Cg_endo -74.98 55.16 3.85 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.467 1.772 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 102' ' ' PRO . 0.0 OUTLIER 168.8 134.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.566 HD22 ' CH2' ' A' ' 105' ' ' TRP . 1.3 mm? -36.33 97.29 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.472 ' N ' ' O ' ' A' ' 100' ' ' THR . 18.1 Cg_endo -75.0 -2.06 12.04 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.521 1.801 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -114.88 62.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.41 -74.89 0.25 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.616 ' CD1' ' N ' ' A' ' 105' ' ' TRP . 0.0 OUTLIER -106.01 100.02 9.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.41 ' OG1' ' OD1' ' A' ' 97' ' ' ASP . 0.7 OUTLIER -157.02 159.69 38.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.353 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.479 ' CB ' HD22 ' A' ' 125' ' ' LEU . 5.4 ppt_? -96.53 121.31 38.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.774 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -110.33 154.68 23.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.605 ' CD2' ' HB3' ' A' ' 121' ' ' TYR . 3.0 tt -116.12 141.61 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 122' ' ' ASP . 0.5 OUTLIER -162.3 147.28 12.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.483 ' CB ' ' HA ' ' A' ' 121' ' ' TYR . 18.3 pt20 -99.06 137.02 38.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.26 -81.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 176.35 74.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.5 77.4 4.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 132.6 -167.24 23.21 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.448 1.093 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -48.88 -87.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 118' ' ' ALA . 39.4 t -103.75 13.51 32.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 117' ' ' SER . . . 40.63 -131.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 129.46 -27.66 4.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.64 154.55 20.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.605 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 8.2 m-85 -66.11 -168.38 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.412 1.07 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.731 ' C ' HG13 ' A' ' 160' ' ' VAL . 0.3 OUTLIER -144.04 154.49 43.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.626 ' CG2' HG11 ' A' ' 160' ' ' VAL . 1.2 t -96.22 149.35 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.774 ' N ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -136.77 121.48 18.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.514 ' CD1' ' O ' ' A' ' 157' ' ' ASP . 45.1 mt -105.32 113.47 27.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.563 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 0.9 OUTLIER -96.68 131.36 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.209 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.638 ' OD1' ' CE2' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -87.07 -177.3 0.87 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.592 ' CD ' ' CB ' ' A' ' 127' ' ' ASN . 18.5 Cg_endo -74.91 49.28 2.18 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.526 1.803 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -143.08 -53.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 147.38 -21.81 1.53 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.563 1.165 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.578 ' HD3' ' CE1' ' A' ' 133' ' ' PHE . 6.1 tttp -71.06 143.79 50.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.462 ' HB3' ' CE1' ' A' ' 124' ' ' TYR . . . -112.5 140.29 47.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.638 ' CE2' ' OD1' ' A' ' 127' ' ' ASN . 16.1 m-85 -104.05 125.94 50.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.501 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 23.7 mtm180 -86.43 -13.84 45.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.553 1.158 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.472 ' HB3' ' CG1' ' A' ' 137' ' ' VAL . 0.9 OUTLIER -142.07 149.05 39.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.013 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.648 ' CE ' ' CZ ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -66.18 -27.09 67.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 135' ' ' SER . 2.3 p -59.11 -42.2 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -23.22 65.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.53 ' O ' ' HB3' ' A' ' 143' ' ' PHE . 12.4 tp -58.26 -51.18 70.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.71 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.0 OUTLIER -62.25 -44.81 99.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -43.95 -48.84 8.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.524 ' O ' ' CG1' ' A' ' 146' ' ' VAL . 1.7 t80 -82.24 -35.28 28.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.719 ' O ' ' HA2' ' A' ' 147' ' ' GLY . 0.0 OUTLIER -72.13 -23.88 61.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.71 ' N ' ' O ' ' A' ' 140' ' ' ILE . 4.8 tm-20 -51.75 -20.99 2.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.406 1.066 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -124.77 -63.23 1.19 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.531 ' O ' ' N ' ' A' ' 148' ' ' ASP . 10.8 p -80.27 2.98 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 109.242 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.719 ' HA2' ' O ' ' A' ' 143' ' ' PHE . . . 37.41 26.57 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 146' ' ' VAL . 73.5 m-20 33.16 90.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.589 ' O ' ' CB ' ' A' ' 150' ' ' SER . 0.6 OUTLIER -81.21 93.89 6.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.389 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.589 ' CB ' ' O ' ' A' ' 149' ' ' THR . 0.5 OUTLIER 151.85 -53.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.383 1.052 . . . . 0.0 109.987 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.443 ' CD1' HD13 ' A' ' 139' ' ' LEU . 1.0 OUTLIER -132.72 107.85 8.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . 0.482 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . 0.2 OUTLIER -98.82 177.1 1.68 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.482 ' CD ' ' CB ' ' A' ' 152' ' ' ASP . 18.5 Cg_endo -75.07 -5.63 17.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 111.029 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -102.14 2.85 37.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -165.16 47.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.648 ' CZ ' ' CE ' ' A' ' 136' ' ' LYS . 47.6 p90 -95.01 168.22 10.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 111.061 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.514 ' O ' ' CD1' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -106.6 131.2 54.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.641 ' CD1' ' N ' ' A' ' 158' ' ' PHE . 0.2 OUTLIER -152.77 106.29 3.05 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' THR . . . . . 0.585 ' OG1' ' CG2' ' A' ' 123' ' ' VAL . 0.8 OUTLIER -106.6 -96.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.401 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.731 HG13 ' C ' ' A' ' 122' ' ' ASP . 12.6 p -46.92 -23.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.51 HG23 ' CG1' ' A' ' 123' ' ' VAL . 1.3 t -116.51 19.41 14.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . 0.435 ' HA3' ' CD2' ' A' ' 158' ' ' PHE . . . -138.89 -112.97 1.09 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.564 1.165 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . 0.406 ' N ' ' HD2' ' A' ' 163' ' ' ARG . 15.7 mmm180 -77.28 -23.47 51.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 0.723 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -68.23 86.84 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.112 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 74.2 m -112.69 96.15 35.88 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.457 0.74 . . . . 0.0 109.911 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 167' ' ' SER . 18.1 Cg_endo -75.04 -38.95 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.447 1.762 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 166' ' ' PRO . 15.4 p -38.37 -58.24 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.042 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -97.12 173.5 7.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.251 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.94 165.06 21.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.15 157.36 15.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -104.16 115.63 30.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.603 1.189 . . . . 0.0 110.262 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -55.63 119.03 22.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 171.61 17.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -42.0 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 0.0 111.033 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 69.97 93.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -126.17 99.25 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -174.22 105.34 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.17 79.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 32.2 p -171.89 136.87 0.94 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 110.013 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -20.44 16.96 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.83 165.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' SER . . . . . 0.471 ' CB ' ' HD3' ' A' ' 183' ' ' PRO . 0.3 OUTLIER 168.42 -54.96 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.038 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . 0.471 ' HD3' ' CB ' ' A' ' 182' ' ' SER . 18.5 Cg_endo -74.94 152.39 41.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.46 1.768 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 137.27 171.98 12.37 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.58 162.65 2.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.6 0.824 . . . . 0.0 109.901 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -172.97 170.19 43.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.432 1.083 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -144.84 166.41 25.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 161.96 115.96 0.37 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.153 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -119.89 -65.53 1.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . 52.09 82.57 0.04 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.03 111.05 20.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.557 0.798 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -174.94 2.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.45 1.763 . . . . 0.0 110.938 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.74 146.77 47.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 195' ' ' SER . . . -51.04 -82.83 0.04 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.522 1.139 . . . . 0.0 111.03 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 194' ' ' GLY . 2.0 t 87.33 141.57 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 0.73 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 163.12 35.75 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.469 1.773 . . . . 0.0 110.922 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -167.04 144.34 4.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.461 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 4.2 p -143.53 140.98 18.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.461 ' HD2' ' CG2' ' A' ' 75' ' ' VAL . 18.4 Cg_endo -75.01 179.8 5.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.507 1.793 . . . . 0.0 111.042 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -154.86 166.24 34.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -163.99 176.63 9.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.0 p -178.79 161.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -146.7 171.42 15.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.9 t -133.03 125.12 18.9 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.039 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 166.03 30.1 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -162.84 150.8 13.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -110.57 -45.36 3.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.255 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 66.66 35.11 5.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -105.87 129.6 54.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.38 112.12 4.8 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.415 1.072 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.4 mm -75.84 145.05 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 90' ' ' ARG . 0.7 OUTLIER -96.78 -146.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.493 ' N ' ' CG2' ' A' ' 89' ' ' ILE . 4.6 mtt-85 -151.8 163.15 39.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -178.83 158.3 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -148.04 139.44 23.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.235 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 163.43 97.84 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -45.04 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 173.77 129.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.449 ' CD2' ' N ' ' A' ' 97' ' ' ASP . 35.8 p90 -170.45 -47.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.449 ' N ' ' CD2' ' A' ' 96' ' ' TYR . 64.7 t0 -123.67 64.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -169.89 66.43 0.55 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -63.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.483 1.781 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.416 ' C ' HD13 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -149.98 -62.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.397 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.584 ' HB3' ' CZ3' ' A' ' 105' ' ' TRP . 0.0 OUTLIER -109.03 99.43 35.42 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 69.61 5.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 110.964 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -159.21 44.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 105' ' ' TRP . . . 124.72 -106.56 0.93 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.592 ' CD1' ' HB3' ' A' ' 128' ' ' PRO . 0.0 OUTLIER -35.51 102.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 104' ' ' GLY . 1.2 t -155.31 154.07 31.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.41 1.069 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.463 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 1.1 tmm_? -94.6 130.2 41.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.325 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.636 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -117.22 128.78 55.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.392 1.057 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.568 ' CD2' ' CB ' ' A' ' 121' ' ' TYR . 0.8 OUTLIER -97.44 143.25 28.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 122' ' ' ASP . 0.6 OUTLIER -164.94 145.64 7.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.37 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -100.84 135.0 42.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.01 77.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -69.9 74.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.388 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.03 59.47 1.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -159.55 -167.09 19.71 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -55.01 -74.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 110.302 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.5 t -131.26 87.09 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.0 -147.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.386 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 124.05 -34.64 3.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.415 1.072 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -84.79 146.51 27.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.568 ' CB ' ' CD2' ' A' ' 109' ' ' LEU . 1.3 m-85 -85.98 -172.23 3.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.618 ' C ' HG13 ' A' ' 160' ' ' VAL . 0.3 OUTLIER -147.52 151.44 36.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.586 1.178 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.652 ' CG2' HG11 ' A' ' 160' ' ' VAL . 1.2 t -102.12 147.42 8.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.636 ' N ' ' O ' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -133.65 121.8 22.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.505 ' CD2' ' HB3' ' A' ' 157' ' ' ASP . 59.4 mt -97.38 114.28 26.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.508 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 3.0 mt -92.84 124.05 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.61 1.193 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.836 ' HB2' ' HD2' ' A' ' 128' ' ' PRO . 53.2 p30 -78.93 176.5 3.64 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.836 ' HD2' ' HB2' ' A' ' 127' ' ' ASN . 18.4 Cg_endo -75.08 15.59 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.453 ' H ' ' C ' ' A' ' 127' ' ' ASN . 13.1 mt-30 -117.6 -11.41 10.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.224 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.484 ' N ' ' OD1' ' A' ' 127' ' ' ASN . . . 98.73 9.47 52.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 111.073 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.508 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.7 OUTLIER -91.29 127.62 36.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 0.805 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.531 ' HB3' ' CE1' ' A' ' 124' ' ' TYR . . . -95.35 141.76 28.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.869 ' CE1' ' CD2' ' A' ' 142' ' ' TYR . 8.2 m-30 -119.68 125.7 49.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 0.8 OUTLIER -99.82 1.28 42.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.23 145.7 35.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.048 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.51 ' HD2' ' CE2' ' A' ' 156' ' ' PHE . 0.7 OUTLIER -69.44 -34.64 74.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.54 -41.5 82.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.642 ' O ' ' CD2' ' A' ' 142' ' ' TYR . 0.5 OUTLIER -64.47 -22.46 66.97 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.567 ' O ' ' HB3' ' A' ' 143' ' ' PHE . 13.4 tp -56.18 -49.18 74.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.5 OUTLIER -59.52 -47.85 89.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -41.34 -50.54 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.075 . . . . 0.0 109.323 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.869 ' CD2' ' CE1' ' A' ' 133' ' ' PHE . 29.5 m-85 -86.01 -42.71 13.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.401 1.063 . . . . 0.0 110.996 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.602 ' CE1' ' OD1' ' A' ' 152' ' ' ASP . 1.0 OUTLIER -59.36 -24.79 63.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 140' ' ' ILE . 2.5 tm-20 -52.0 -33.09 36.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 0.4 OUTLIER -178.05 62.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.658 ' HB ' ' O ' ' A' ' 142' ' ' TYR . 7.4 p -111.99 -12.6 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 148' ' ' ASP . . . 89.96 30.75 12.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 147' ' ' GLY . 0.8 OUTLIER -38.08 113.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.249 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.488 ' CG2' ' NE1' ' A' ' 105' ' ' TRP . 0.6 OUTLIER -93.31 2.53 56.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.455 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.4 t 168.34 -40.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 110.007 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.477 ' CD1' HD12 ' A' ' 139' ' ' LEU . 0.7 OUTLIER -71.95 97.15 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . 0.602 ' OD1' ' CE1' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -129.29 172.24 7.47 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.641 ' O ' ' CE2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -75.05 -6.1 17.59 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -96.5 -17.26 20.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -133.57 19.45 3.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.641 ' CE2' ' O ' ' A' ' 153' ' ' PRO . 0.0 OUTLIER -53.58 -174.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.398 1.061 . . . . 0.0 110.965 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.639 ' O ' ' C ' ' A' ' 158' ' ' PHE . 10.3 t70 -124.4 -50.76 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.678 ' CG ' ' O ' ' A' ' 158' ' ' PHE . 2.0 p90 12.43 89.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' THR . . . . . 0.476 ' OG1' HG21 ' A' ' 123' ' ' VAL . 1.5 p -109.19 -87.48 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 110.398 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.652 HG11 ' CG2' ' A' ' 123' ' ' VAL . 9.9 p -47.12 -27.18 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.518 ' HB ' ' H ' ' A' ' 123' ' ' VAL . 11.6 t -119.95 21.32 11.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . 0.568 ' HA3' ' CD2' ' A' ' 158' ' ' PHE . . . -141.14 -99.9 0.39 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . 0.618 ' CD ' ' CE2' ' A' ' 158' ' ' PHE . 12.3 mmm180 -76.68 -24.12 53.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 0.727 . . . . 0.0 110.376 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 159' ' ' THR . . . -78.65 78.35 1.66 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.398 1.061 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 67.0 p -84.82 113.46 49.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 109.959 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 167' ' ' SER . 18.1 Cg_endo -75.02 -61.25 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.462 1.77 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 166' ' ' PRO . 2.2 t 84.88 -165.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.552 ' O ' ' CB ' ' A' ' 169' ' ' ARG . 0.0 OUTLIER 68.36 144.53 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 110.247 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . 0.552 ' CB ' ' O ' ' A' ' 168' ' ' ARG . 0.0 OUTLIER 88.06 147.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.342 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . 0.448 ' N ' ' HD2' ' A' ' 169' ' ' ARG . 0.1 OUTLIER -154.88 153.69 31.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -142.68 126.03 16.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.04 95.28 0.28 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 155.75 42.96 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.445 1.76 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -178.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.52 113.5 0.36 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.352 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -154.43 162.17 41.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -162.41 126.33 3.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.42 165.64 11.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 96.3 p -170.79 82.52 0.54 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.953 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 162.57 36.86 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.501 1.79 . . . . 0.0 111.029 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.08 167.98 23.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.96 115.88 1.22 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -175.33 2.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.542 1.811 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -177.09 154.84 16.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 34.6 p 178.72 154.22 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -151.56 155.43 26.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.563 1.164 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 179.03 157.7 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.763 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -126.14 -117.0 2.11 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.438 1.086 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -122.68 -148.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.294 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . -179.8 -164.54 32.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.32 144.03 27.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 110.263 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -70.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -165.41 -56.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . 132.45 -114.85 1.51 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 58.4 p -146.85 102.98 3.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.723 . . . . 0.0 109.986 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.89 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.481 1.779 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -176.08 124.57 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.0 t -133.45 120.74 15.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 174.66 12.38 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.548 1.815 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -150.69 158.23 43.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -168.92 176.44 5.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.3 p -149.07 169.28 21.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -134.36 171.33 14.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.0 t -174.87 92.4 0.3 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.008 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 147.55 34.04 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.69 91.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 85' ' ' ARG . 0.1 OUTLIER -90.71 99.62 12.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 86' ' ' ARG . 0.1 OUTLIER -37.32 -46.02 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 85' ' ' ARG . 1.5 ttp180 32.78 86.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 110.215 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.7 t -129.28 79.79 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.006 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 37.1 mm -60.03 149.47 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 90' ' ' ARG . 0.6 OUTLIER -128.59 -149.6 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.452 ' N ' ' CG2' ' A' ' 89' ' ' ILE . 0.6 OUTLIER -165.29 112.0 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.343 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.56 138.07 48.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -142.27 152.33 42.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.248 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.82 154.59 20.54 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 116.07 4.48 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.563 1.823 . . . . 0.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.95 -177.72 6.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.08 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -54.03 -24.87 18.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -87.6 161.44 17.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.78 159.11 32.9 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -2.79 12.99 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.62 ' CG2' ' CZ2' ' A' ' 105' ' ' TRP . 82.8 p -77.69 -132.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.602 1.189 . . . . 0.0 110.38 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -60.81 159.42 26.34 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -49.19 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -146.45 70.82 1.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.84 -58.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.62 ' CZ2' ' CG2' ' A' ' 100' ' ' THR . 0.1 OUTLIER -121.06 116.58 25.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.412 HG21 ' N ' ' A' ' 107' ' ' ARG . 18.1 m -159.42 167.24 29.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.489 ' CD ' HG22 ' A' ' 123' ' ' VAL . 4.4 ttp85 -95.39 130.03 42.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.642 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -116.83 127.54 54.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 122' ' ' ASP . 7.0 tt -100.67 139.88 35.72 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.511 ' O ' ' N ' ' A' ' 122' ' ' ASP . 14.5 pttt -149.46 139.78 22.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.404 ' HG2' ' N ' ' A' ' 112' ' ' ARG . 2.3 tm0? -101.23 138.73 37.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER -159.4 -75.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 110.256 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 162.31 122.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 115' ' ' GLY . 80.6 p -118.19 38.11 3.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 114' ' ' SER . . . 37.29 -157.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.75 -89.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 118' ' ' ALA . 31.2 t -95.4 -46.15 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 117' ' ' SER . . . 55.26 162.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 104.94 -21.09 36.93 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -101.05 154.69 18.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.58 ' CB ' HD23 ' A' ' 109' ' ' LEU . 1.2 m-85 -69.7 -153.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.683 ' O ' ' HG ' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -147.45 153.46 39.6 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.591 ' CG2' HG13 ' A' ' 160' ' ' VAL . 0.9 OUTLIER -117.54 145.82 22.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.642 ' N ' ' O ' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -133.77 120.72 20.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 111.076 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.549 HD13 ' CZ ' ' A' ' 158' ' ' PHE . 69.2 mt -96.97 112.61 24.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.582 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 1.2 mt -97.03 123.54 49.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.604 ' HB2' ' HD2' ' A' ' 128' ' ' PRO . 4.9 p-10 -74.99 176.73 2.78 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.231 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.604 ' HD2' ' HB2' ' A' ' 127' ' ' ASN . 18.5 Cg_endo -74.98 52.47 3.06 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.441 1.759 . . . . 0.0 111.043 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.437 ' HB2' ' OD1' ' A' ' 127' ' ' ASN . 54.9 mt-30 -152.58 -44.3 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 142.12 -16.52 2.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.582 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -71.14 133.79 46.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.476 0.751 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.58 ' HB3' ' CD1' ' A' ' 124' ' ' TYR . . . -108.77 145.87 34.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.524 ' CE1' ' HD2' ' A' ' 131' ' ' LYS . 49.3 m-85 -111.15 127.19 55.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 5.5 mtm180 -102.43 -2.64 28.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.458 ' OG ' ' CG1' ' A' ' 137' ' ' VAL . 10.0 t -141.8 147.02 36.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.657 ' HA ' ' CE2' ' A' ' 158' ' ' PHE . 5.6 ttpt -64.61 -30.68 71.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.458 ' CG1' ' OG ' ' A' ' 135' ' ' SER . 1.0 OUTLIER -60.03 -46.64 93.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.451 1.094 . . . . 0.0 109.207 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -24.01 64.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.561 ' O ' ' CB ' ' A' ' 143' ' ' PHE . 12.8 tp -59.4 -48.91 79.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.663 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -63.07 -45.75 97.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -41.38 -50.59 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.64 ' O ' ' HB ' ' A' ' 146' ' ' VAL . 1.1 m-85 -88.77 -39.42 13.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.627 ' HB3' ' HA ' ' A' ' 140' ' ' ILE . 79.0 t80 -65.44 -21.19 66.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.663 ' N ' ' O ' ' A' ' 140' ' ' ILE . 1.1 tm-20 -49.0 -43.94 40.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 145' ' ' LYS . 8.9 pttt -176.84 68.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.64 ' HB ' ' O ' ' A' ' 142' ' ' TYR . 9.1 p -109.15 -10.2 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.94 11.28 53.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . 0.479 ' OD1' ' CG ' ' A' ' 128' ' ' PRO . 32.3 m-20 -93.48 94.78 8.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 0.755 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.52 ' O ' ' CB ' ' A' ' 150' ' ' SER . 0.8 OUTLIER -100.53 100.31 11.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.424 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 149' ' ' THR . 1.3 t 157.27 -52.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.601 ' O ' ' CE1' ' A' ' 143' ' ' PHE . 0.1 OUTLIER -88.81 119.78 29.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . 0.538 ' HB3' ' CZ ' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -127.07 170.82 9.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.516 ' HD3' ' CE2' ' A' ' 143' ' ' PHE . 18.5 Cg_endo -74.93 -9.9 21.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.04 -8.76 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.249 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -142.82 30.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.498 ' CD2' ' O ' ' A' ' 153' ' ' PRO . 0.6 OUTLIER -55.44 -169.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 111.029 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.472 ' HB2' ' CD2' ' A' ' 125' ' ' LEU . 0.1 OUTLIER -121.27 -2.17 9.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.657 ' CE2' ' HA ' ' A' ' 136' ' ' LYS . 66.1 m-85 -49.14 113.3 0.77 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' THR . . . . . 0.537 ' OG1' ' CG2' ' A' ' 123' ' ' VAL . 21.5 p -108.34 -92.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 110.397 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.591 HG13 ' CG2' ' A' ' 123' ' ' VAL . 7.8 p -49.04 -22.57 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.535 ' CG2' ' HB ' ' A' ' 123' ' ' VAL . 2.8 t -120.78 20.77 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 158' ' ' PHE . . . -137.34 -78.03 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -9.25 58.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 0.732 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.453 ' C ' ' HD3' ' A' ' 166' ' ' PRO . . . 38.31 33.22 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.16 76.35 8.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.761 . . . . 0.0 110.014 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 167' ' ' SER . 18.5 Cg_endo -74.97 -54.44 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.532 1.806 . . . . 0.0 111.065 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 166' ' ' PRO . 1.1 t 85.21 129.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.992 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 169' ' ' ARG . 0.0 OUTLIER -159.05 -58.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 168' ' ' ARG . 14.4 ptm180 38.06 90.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -151.07 113.13 4.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.332 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -141.82 157.17 45.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -179.76 104.68 0.18 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.252 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 136.04 19.84 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.45 1.763 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -171.19 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.523 1.801 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.44 116.44 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 109.244 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -94.07 178.04 5.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.405 1.065 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -174.69 177.22 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt 66.85 154.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.397 1.061 . . . . 0.0 109.278 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 87.4 p -151.67 134.95 9.16 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 170.13 21.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.778 . . . . 0.0 110.99 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -179.09 147.26 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.61 146.07 4.06 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.952 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.69 3.0 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 177.76 126.18 0.97 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 29.2 t -178.14 165.78 1.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 109.97 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 50.43 -109.36 0.67 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.2 80.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 148.85 82.95 0.04 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.88 -55.36 1.99 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 0.774 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . -127.56 132.05 7.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 5.0 mtt85 -76.11 134.12 71.39 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.448 0.734 . . . . 0.0 110.238 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 55.75 4.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.58 1.832 . . . . 0.0 110.97 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 2.4 tptt 54.61 -157.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 195' ' ' SER . . . 152.14 148.41 4.84 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.557 1.16 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 194' ' ' GLY . 0.7 OUTLIER 83.76 123.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 110.009 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.113 . . . . 0.0 110.96 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 163.66 34.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 76' ' ' PRO . . . -124.53 151.52 44.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 74' ' ' ALA . 74.0 t -39.57 99.99 0.21 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.99 -53.91 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 110.97 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 40.08 86.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 110.342 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.69 59.12 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.4 t -166.6 82.25 0.26 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -154.61 75.8 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.47 72.52 0.21 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.047 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 63.65 5.95 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.96 -178.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -69.03 108.01 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -37.79 -52.43 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 85' ' ' ARG . 20.4 ttt180 33.36 88.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 110.366 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.5 t 177.44 93.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.1 mt -118.12 -51.48 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.0 pt -70.83 -172.63 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.0 mmm-85 -71.03 162.84 28.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -133.04 74.24 1.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 59.73 103.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -112.5 -87.44 1.67 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -168.13 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.1 -168.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.538 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 27.4 p90 -43.19 167.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.538 ' CB ' ' O ' ' A' ' 96' ' ' TYR . 3.0 t70 85.16 129.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.507 ' OD1' ' CA ' ' A' ' 104' ' ' GLY . 0.2 OUTLIER 168.59 112.76 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.566 ' O ' ' CB ' ' A' ' 100' ' ' THR . 18.3 Cg_endo -75.0 -80.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.464 1.771 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.588 ' OG1' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER 162.03 -102.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.582 1.176 . . . . 0.0 110.411 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.588 ' N ' ' OG1' ' A' ' 100' ' ' THR . 0.2 OUTLIER -37.55 -52.23 2.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 101' ' ' LEU . 18.1 Cg_endo -75.04 78.82 2.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.447 1.762 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 102' ' ' PRO . 17.3 mp0 37.59 92.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.507 ' CA ' ' OD1' ' A' ' 98' ' ' ASP . . . -179.55 -124.4 0.88 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.72 ' O ' ' CG ' ' A' ' 105' ' ' TRP . 0.0 OUTLIER 61.39 91.49 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 105' ' ' TRP . 1.2 p -162.09 179.07 8.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.585 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -88.16 128.13 35.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.327 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.697 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.6 OUTLIER -111.39 130.06 55.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.637 ' CD2' ' HB3' ' A' ' 121' ' ' TYR . 2.1 tt -101.74 142.57 32.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 122' ' ' ASP . 1.6 mtpt -151.27 -174.65 4.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -95.15 138.58 32.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.17 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.471 ' NE ' ' O ' ' A' ' 120' ' ' LYS . 0.0 OUTLIER -110.83 -176.47 2.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.52 177.28 4.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.2 m 38.32 57.98 1.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.0 110.027 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 117' ' ' SER . . . -134.85 54.84 0.75 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? 64.92 -75.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.766 . . . . 0.0 110.226 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 115' ' ' GLY . 42.7 t -123.52 55.36 1.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.061 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.62 157.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 165.17 -58.81 0.25 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.552 1.158 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.471 ' O ' ' NE ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -80.76 142.79 33.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.637 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 15.5 m-85 -52.67 -171.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 111.069 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.704 ' C ' HG13 ' A' ' 160' ' ' VAL . 0.5 OUTLIER -140.99 153.17 45.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.625 ' N ' ' CG1' ' A' ' 160' ' ' VAL . 0.9 OUTLIER -107.37 150.21 10.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.697 ' N ' ' O ' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -130.45 124.5 32.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.482 HD23 ' CB ' ' A' ' 157' ' ' ASP . 81.8 mt -95.54 113.64 25.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.598 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 3.2 mt -96.26 122.47 47.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.537 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 1.0 OUTLIER -73.16 179.66 1.09 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.537 ' CD ' ' CB ' ' A' ' 127' ' ' ASN . 18.3 Cg_endo -75.0 1.86 7.27 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.479 1.778 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -100.29 -27.37 13.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 118.22 1.68 16.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.598 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -84.57 132.98 34.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 0.809 . . . . 0.0 109.25 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.546 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -103.87 143.03 33.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.597 ' CD1' ' HB3' ' A' ' 138' ' ' GLU . 7.3 m-85 -114.63 125.81 54.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.545 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 4.6 mtp180 -93.15 -4.16 52.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.52 146.16 37.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.499 ' HE2' ' CE2' ' A' ' 156' ' ' PHE . 14.9 ttmt -69.49 -27.94 65.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.2 p -59.47 -41.29 84.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.238 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.597 ' HB3' ' CD1' ' A' ' 133' ' ' PHE . 4.5 tp10 -62.07 -23.6 66.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.465 ' O ' ' HB3' ' A' ' 143' ' ' PHE . 11.7 tp -60.44 -48.18 82.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.788 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.3 OUTLIER -61.53 -45.33 98.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -44.31 -49.14 9.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.582 ' O ' ' CG1' ' A' ' 146' ' ' VAL . 0.2 OUTLIER -87.12 -28.72 22.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 111.036 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.679 ' HB3' ' HA ' ' A' ' 140' ' ' ILE . 6.4 t80 -80.51 -20.17 44.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.788 ' N ' ' O ' ' A' ' 140' ' ' ILE . 2.5 tm-20 -48.67 -50.34 33.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.07 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 0.0 OUTLIER 169.19 41.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.582 ' CG1' ' O ' ' A' ' 142' ' ' TYR . 0.9 OUTLIER -87.68 -11.02 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 147.88 -40.61 0.95 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.443 1.089 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . 0.461 ' CG ' ' N ' ' A' ' 149' ' ' THR . 0.0 OUTLIER 55.42 168.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.546 ' CG2' ' N ' ' A' ' 150' ' ' SER . 0.6 OUTLIER -158.68 -72.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.475 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.546 ' N ' ' CG2' ' A' ' 149' ' ' THR . 9.9 t -159.98 34.23 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.009 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.489 ' CD2' ' OD1' ' A' ' 127' ' ' ASN . 0.2 OUTLIER -138.86 112.55 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . 0.58 ' OD1' ' CZ ' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -125.21 168.76 12.69 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.613 ' O ' ' CE2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -74.98 -6.0 17.51 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -100.91 -13.26 18.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.04 18.6 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.834 ' CE1' ' CE1' ' A' ' 158' ' ' PHE . 0.0 OUTLIER -55.54 -172.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.928 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.482 ' CB ' HD23 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -124.51 0.42 8.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.834 ' CE1' ' CE1' ' A' ' 156' ' ' PHE . 0.1 OUTLIER -38.36 103.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 111.056 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' THR . . . . . 0.555 ' OG1' ' CG2' ' A' ' 123' ' ' VAL . 0.7 OUTLIER -108.8 -95.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.396 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.704 HG13 ' C ' ' A' ' 122' ' ' ASP . 10.6 p -49.53 -38.63 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.474 ' N ' HG12 ' A' ' 160' ' ' VAL . 8.3 t -91.42 -23.97 19.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.411 1.069 . . . . 0.0 110.375 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . 0.458 ' CA ' ' HB2' ' A' ' 158' ' ' PHE . . . -70.41 -41.95 66.0 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -76.31 -24.17 54.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 80.08 -78.71 1.78 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.15 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.56 115.94 48.72 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.433 0.725 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . 0.428 ' O ' ' CB ' ' A' ' 167' ' ' SER . 18.2 Cg_endo -74.99 -158.1 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.465 1.771 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 166' ' ' PRO . 0.6 OUTLIER 165.09 -84.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 55.0 25.72 7.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.247 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -119.0 170.41 9.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -129.44 137.34 50.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -94.41 -79.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.34 91.66 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 158.56 41.93 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -165.05 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.473 1.775 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.71 -164.55 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.78 166.26 26.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.364 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -154.26 -171.96 4.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -161.13 133.42 5.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 21.7 t -107.66 124.0 36.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.033 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 151.75 39.95 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.468 1.773 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.75 133.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.16 143.41 16.56 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -167.24 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 111.045 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -146.63 -177.13 21.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.115 . . . . 0.0 111.063 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 73.6 m -164.12 171.94 14.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -173.89 48.29 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -167.65 159.88 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -170.69 -79.88 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.96 -15.46 12.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.525 0.78 . . . . 0.0 110.377 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . 61.13 -143.76 48.64 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.93 87.48 0.21 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -73.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.565 1.824 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.32 173.94 11.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 109.24 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . 0.534 ' O ' ' CB ' ' A' ' 195' ' ' SER . . . -111.94 49.13 0.87 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.533 1.145 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 194' ' ' GLY . 0.4 OUTLIER 88.28 86.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 0.812 . . . . 0.0 109.953 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.143 . . . . 0.0 110.992 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 149.47 36.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -117.94 113.49 21.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.389 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.6 t -120.93 85.41 40.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 134.93 18.56 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.532 1.806 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.45 140.08 58.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.86 172.22 14.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 t -109.8 139.2 45.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.055 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.65 -174.51 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.41 150.61 23.89 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.962 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -163.59 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.538 1.809 . . . . 0.0 111.023 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 -173.31 4.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -92.01 -47.72 7.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.23 26.96 12.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.54 154.67 19.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.4 m -167.35 -55.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.3 mp 61.2 149.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.565 ' CG2' ' N ' ' A' ' 90' ' ' ARG . 0.4 OUTLIER 62.16 -177.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.25 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.565 ' N ' ' CG2' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -167.56 -166.35 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -88.16 171.31 10.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.44 -171.83 2.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 110.363 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -160.39 101.01 0.19 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -177.37 3.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.57 ' HG2' ' CD1' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -115.42 -0.42 13.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 110.969 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.704 ' CE1' ' CB ' ' A' ' 110' ' ' LYS . 0.6 OUTLIER -81.6 -65.07 1.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' A' ' 96' ' ' TYR . 3.3 m-20 151.71 -171.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -123.42 73.4 50.6 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.476 ' CG ' HD11 ' A' ' 126' ' ' ILE . 18.4 Cg_endo -74.92 -77.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.544 1.812 . . . . 0.0 111.031 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 100' ' ' THR . 0.2 OUTLIER 35.9 53.57 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.406 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.41 HD13 ' N ' ' A' ' 105' ' ' TRP . 25.7 mt -63.16 112.15 6.35 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.403 ' O ' ' HB3' ' A' ' 103' ' ' GLU . 18.2 Cg_endo -75.03 50.21 2.47 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 102' ' ' PRO . 8.7 pt-20 168.27 -41.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 105' ' ' TRP . . . -103.06 -150.18 21.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.376 1.048 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.717 ' CE3' ' O ' ' A' ' 126' ' ' ILE . 1.8 p-90 178.77 152.91 0.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.542 ' N ' ' CE3' ' A' ' 105' ' ' TRP . 1.6 p -152.47 169.18 23.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -95.81 120.2 35.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.636 ' N ' ' O ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -107.84 138.05 44.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.577 HD11 HG13 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -94.94 143.37 26.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.704 ' CB ' ' CE1' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -131.89 167.87 18.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.579 ' HB2' ' CE2' ' A' ' 121' ' ' TYR . 35.3 tt0 -95.23 135.52 36.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.344 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER 162.52 135.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.267 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -152.09 -77.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.395 1.059 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 115' ' ' GLY . 25.6 t -179.05 36.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 117' ' ' SER . . . 43.64 -168.53 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? 62.7 -76.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.4 0.706 . . . . 0.0 110.347 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 115' ' ' GLY . 35.4 t -132.41 51.79 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 110.059 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 113' ' ' LYS . . . -55.78 -104.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 92.62 -54.99 2.7 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.39 144.18 44.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 0.808 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.579 ' CE2' ' HB2' ' A' ' 111' ' ' GLN . 3.0 m-85 -101.96 -174.14 2.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.623 ' C ' HG12 ' A' ' 160' ' ' VAL . 0.1 OUTLIER -119.0 155.91 30.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.367 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.634 ' CG2' HG13 ' A' ' 160' ' ' VAL . 0.9 OUTLIER -101.18 149.44 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.636 ' O ' ' N ' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -136.47 120.5 17.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 110.999 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' A' ' 133' ' ' PHE . 63.3 mt -105.4 116.63 32.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.717 ' O ' ' CE3' ' A' ' 105' ' ' TRP . 2.4 mt -92.03 149.41 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.641 ' ND2' ' CE2' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -102.83 178.47 1.19 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.211 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 127' ' ' ASN . 18.4 Cg_endo -75.01 44.81 1.23 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.51 1.794 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.409 ' H ' ' C ' ' A' ' 127' ' ' ASN . 39.5 mt-30 -145.9 -45.66 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 143.5 -15.61 2.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.682 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 5.9 ttmt -68.41 146.76 52.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.605 ' HB2' ' CD2' ' A' ' 124' ' ' TYR . . . -122.19 131.06 53.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.641 ' CE2' ' ND2' ' A' ' 127' ' ' ASN . 12.4 m-85 -96.53 125.01 40.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.573 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 4.0 mtp-105 -81.93 -19.87 39.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.485 ' OG ' ' CG1' ' A' ' 137' ' ' VAL . 39.0 t -143.35 151.66 40.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.945 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.587 ' HD2' ' CE1' ' A' ' 156' ' ' PHE . 12.7 ttpt -64.13 -25.62 68.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.485 ' CG1' ' OG ' ' A' ' 135' ' ' SER . 2.3 p -57.84 -46.67 87.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.14 -23.95 57.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.575 HD11 ' CD2' ' A' ' 133' ' ' PHE . 12.6 tp -59.23 -48.93 79.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.758 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -60.39 -46.27 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.376 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -44.16 -47.75 9.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.595 ' O ' ' CG1' ' A' ' 146' ' ' VAL . 0.1 OUTLIER -82.49 -29.12 30.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.611 1.195 . . . . 0.0 110.937 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.528 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -81.26 -21.57 39.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.758 ' N ' ' O ' ' A' ' 140' ' ' ILE . 0.2 OUTLIER -50.16 -52.5 34.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.643 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 0.0 OUTLIER 172.2 58.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.595 ' CG1' ' O ' ' A' ' 142' ' ' TYR . 1.4 p -106.15 -11.61 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 92.96 45.0 3.71 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.66 161.21 13.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' A' ' 149' ' ' THR . 0.3 OUTLIER -162.49 102.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.435 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.469 ' HG ' ' N ' ' A' ' 151' ' ' LEU . 10.2 t 169.73 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.469 ' N ' ' HG ' ' A' ' 150' ' ' SER . 0.7 OUTLIER -98.84 134.99 40.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . 0.415 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . 0.3 OUTLIER -124.43 173.52 4.62 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 152' ' ' ASP . 18.3 Cg_endo -74.93 -3.18 13.53 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.515 1.798 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.47 -5.28 27.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.4 33.49 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.587 ' CE1' ' HD2' ' A' ' 136' ' ' LYS . 54.7 p90 -70.88 -160.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.481 ' O ' ' HB3' ' A' ' 158' ' ' PHE . 0.0 OUTLIER -146.06 160.68 41.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.701 ' CD1' ' O ' ' A' ' 158' ' ' PHE . 0.1 OUTLIER 177.46 111.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 110.986 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' THR . . . . . 0.558 ' OG1' ' CG2' ' A' ' 123' ' ' VAL . 24.8 p -106.8 -92.33 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.634 HG13 ' CG2' ' A' ' 123' ' ' VAL . 9.3 p -49.02 -21.62 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.358 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.471 ' CG2' ' HB ' ' A' ' 123' ' ' VAL . 1.7 t -117.94 20.14 13.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . 0.647 ' CA ' ' CD2' ' A' ' 158' ' ' PHE . . . -137.13 -134.42 3.27 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -11.78 59.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 0.812 . . . . 0.0 110.309 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -78.1 60.0 3.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 62.2 p -89.84 116.4 66.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 167' ' ' SER . 18.5 Cg_endo -74.98 -27.91 9.66 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.807 . . . . 0.0 111.031 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 166' ' ' PRO . 97.3 p -37.63 134.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.967 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.26 -166.96 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.75 177.24 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 71.8 124.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -137.44 141.21 41.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.84 94.94 12.58 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.321 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.02 42.92 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 174.92 11.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.72 155.35 7.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.01 -81.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . 65.87 167.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 76.69 146.05 0.09 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.5 m -145.92 149.32 38.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 181' ' ' LYS . 18.0 Cg_endo -75.06 -60.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 180' ' ' PRO . 9.3 pttp 46.95 -172.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 170.23 152.95 0.18 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.073 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -167.28 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 161.08 117.18 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 74.7 p -165.07 162.07 20.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.795 . . . . 0.0 110.042 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 164.37 169.24 27.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -171.23 172.91 5.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 0.716 . . . . 0.0 110.308 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -159.14 106.29 0.28 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.27 -8.62 13.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 0.756 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' GLY . . . . . 0.423 ' O ' ' CB ' ' A' ' 191' ' ' ARG . . . -71.88 173.43 44.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.522 1.138 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . 0.48 ' N ' ' CD ' ' A' ' 192' ' ' PRO . 0.0 OUTLIER 163.39 -52.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 110.259 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 191' ' ' ARG . 18.2 Cg_endo -75.02 103.89 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.522 1.801 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.45 122.77 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . 162.54 114.78 0.32 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 13.6 p -115.57 91.9 3.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 0.76 . . . . 0.0 110.068 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -164.52 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.3 127.04 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.7 t -135.84 91.02 18.18 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -168.87 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -177.19 142.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -165.37 164.45 19.71 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 174.94 169.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 173.73 156.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 43.6 t -179.96 91.91 0.19 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -175.03 2.15 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -174.86 121.88 0.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.234 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 85' ' ' ARG . 1.7 mt-30 -115.21 103.42 10.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.479 ' O ' ' C ' ' A' ' 86' ' ' ARG . 8.4 ptm180 -36.97 -50.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.273 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 85' ' ' ARG . 1.5 ttt180 32.75 88.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.7 p -143.82 98.93 3.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.067 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.415 HD11 ' N ' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -64.56 118.99 7.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 90' ' ' ARG . 1.5 pt -105.82 -171.14 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 89' ' ' ILE . 4.0 ttt180 84.98 166.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.174 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -173.67 -178.21 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.71 -177.26 4.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 161.72 99.4 0.14 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -164.65 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.436 1.756 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.45 -48.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.946 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 97' ' ' ASP . 44.5 m-85 -56.13 -167.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.963 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -40.05 129.09 2.21 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.528 ' N ' ' CD ' ' A' ' 99' ' ' PRO . 0.2 OUTLIER 162.6 -51.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 98' ' ' ASP . 18.1 Cg_endo -75.03 57.97 4.76 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.573 1.828 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.426 ' CB ' HG22 ' A' ' 126' ' ' ILE . 43.6 p -105.32 59.25 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.35 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.463 ' CD1' ' HA3' ' A' ' 104' ' ' GLY . 0.0 OUTLIER -105.08 170.02 6.44 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -35.69 2.94 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.502 1.79 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -100.61 -8.18 23.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.463 ' HA3' ' CD1' ' A' ' 101' ' ' LEU . . . -109.57 9.59 32.68 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.442 ' O ' ' CG2' ' A' ' 106' ' ' THR . 0.0 OUTLIER -45.64 129.92 8.94 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.442 ' CG2' ' O ' ' A' ' 105' ' ' TRP . 1.6 p -158.41 174.63 14.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.429 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.507 ' HB2' ' CD2' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -90.94 129.4 36.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 110.339 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.603 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -117.94 125.68 50.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.572 ' CD2' ' CB ' ' A' ' 121' ' ' TYR . 0.7 OUTLIER -95.08 141.62 28.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 122' ' ' ASP . 0.7 OUTLIER -160.0 150.08 18.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -100.7 136.95 39.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.227 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.15 57.28 1.06 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -61.77 122.22 14.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.41 38.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.964 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 116' ' ' ARG . . . 73.6 -56.57 2.08 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 115' ' ' GLY . 0.2 OUTLIER -37.87 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 0.773 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.7 t -126.66 74.12 1.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.965 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -101.64 126.36 48.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 148.46 -63.26 0.42 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.58 151.46 21.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 0.777 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.572 ' CB ' ' CD2' ' A' ' 109' ' ' LEU . 17.8 m-85 -80.28 -167.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.653 ' C ' HG11 ' A' ' 160' ' ' VAL . 0.3 OUTLIER -147.74 152.02 37.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.689 ' CG2' HG12 ' A' ' 160' ' ' VAL . 1.2 t -102.46 147.23 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.603 ' N ' ' O ' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -132.54 122.39 24.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.967 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.507 ' CD2' ' HB2' ' A' ' 107' ' ' ARG . 50.0 mt -97.44 113.19 24.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.595 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 2.6 mt -92.01 119.98 40.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 109.219 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.587 ' HB2' ' HD2' ' A' ' 128' ' ' PRO . 4.1 p-10 -70.7 176.47 1.94 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.587 ' HD2' ' HB2' ' A' ' 127' ' ' ASN . 17.8 Cg_endo -75.05 53.1 3.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.541 1.811 . . . . 0.0 110.968 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.436 ' HB2' ' OD1' ' A' ' 127' ' ' ASN . 25.1 mt-30 -153.26 -44.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 141.88 -15.28 2.62 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.65 ' CD ' ' CE1' ' A' ' 142' ' ' TYR . 0.0 OUTLIER -72.68 138.28 46.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.6 ' HB3' ' CD1' ' A' ' 124' ' ' TYR . . . -104.46 147.89 27.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 127' ' ' ASN . 25.5 m-85 -118.77 125.73 50.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 111.047 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.48 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 17.1 mtp180 -99.25 -7.61 26.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 36.5 p -141.38 147.22 37.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.973 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.665 ' CD ' ' CE2' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -63.46 -29.46 70.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.46 -48.16 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.57 -22.87 62.36 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.547 1.155 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.637 ' HG ' ' CE2' ' A' ' 143' ' ' PHE . 12.0 tp -60.3 -50.5 73.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.229 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.707 ' HA ' ' HB2' ' A' ' 143' ' ' PHE . 0.1 OUTLIER -70.67 -42.49 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -46.58 -48.54 19.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.382 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.65 ' CE1' ' CD ' ' A' ' 131' ' ' LYS . 0.3 OUTLIER -83.88 -28.3 28.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.707 ' HB2' ' HA ' ' A' ' 140' ' ' ILE . 6.6 m-30 -79.61 -21.43 44.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.142 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.703 ' N ' ' O ' ' A' ' 140' ' ' ILE . 1.0 OUTLIER -57.15 -28.5 62.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 0.0 110.305 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 146' ' ' VAL . 0.4 OUTLIER -94.1 -48.85 6.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.521 ' CG1' ' HA ' ' A' ' 143' ' ' PHE . 7.5 p -84.64 12.06 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.687 ' N ' ' O ' ' A' ' 143' ' ' PHE . . . 37.58 38.7 0.47 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . 0.589 ' HB2' ' CD2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER 56.92 163.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 0.726 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.503 ' O ' ' CB ' ' A' ' 150' ' ' SER . 0.3 OUTLIER -160.17 103.98 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.42 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 149' ' ' THR . 1.4 t 85.9 -56.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.402 ' O ' ' OD1' ' A' ' 148' ' ' ASP . 0.3 OUTLIER -107.59 137.67 45.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . 0.479 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . 0.4 OUTLIER -126.28 177.07 2.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 152' ' ' ASP . 18.3 Cg_endo -74.96 -5.08 16.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.787 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -104.26 -7.51 20.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -147.24 42.0 1.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.665 ' CE2' ' CD ' ' A' ' 136' ' ' LYS . 7.0 p90 -77.22 -169.8 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.497 ' HB3' ' CD2' ' A' ' 125' ' ' LEU . 10.0 t0 -107.54 -99.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.581 ' CE2' ' HA ' ' A' ' 136' ' ' LYS . 68.4 m-85 57.24 104.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' THR . . . . . 0.719 ' OG1' ' N ' ' A' ' 160' ' ' VAL . 1.2 p -112.08 -82.78 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.719 ' N ' ' OG1' ' A' ' 159' ' ' THR . 14.7 p -50.5 -39.98 18.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.498 ' N ' HG13 ' A' ' 160' ' ' VAL . 15.4 t -95.41 -22.95 17.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . 0.534 ' HA3' ' O ' ' A' ' 158' ' ' PHE . . . -75.13 -3.57 69.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.67 -9.65 59.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 102.1 -105.48 2.81 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 12.0 m -116.05 89.29 24.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.962 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -53.35 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.462 1.77 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.86 -83.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.931 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 174.85 97.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 -156.72 160.46 39.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 178.84 93.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.53 159.91 41.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? 179.83 86.73 0.19 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.05 37.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -165.4 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.473 1.775 . . . . 0.0 111.02 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.96 132.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.19 151.42 1.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.386 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -178.22 137.27 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.99 141.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 50.8 p 176.32 79.96 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . 0.477 ' O ' ' CB ' ' A' ' 181' ' ' LYS . 18.1 Cg_endo -75.05 158.45 42.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.445 1.761 . . . . 0.0 110.957 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 180' ' ' PRO . 0.5 OUTLIER 166.12 152.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 51.7 p 176.82 77.69 0.1 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.964 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.22 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.034 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 141.33 110.04 0.8 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 4.5 t -172.66 146.72 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.957 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 187' ' ' ARG . . . 125.86 -178.05 16.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.458 1.099 . . . . 0.0 111.051 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 186' ' ' GLY . 0.5 OUTLIER 84.02 159.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 110.319 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 118.06 54.2 0.29 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 111.055 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.42 5.83 10.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 0.79 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . -55.92 137.2 46.88 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.59 1.181 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 178.27 67.13 0.1 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.541 0.789 . . . . 0.0 110.297 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 170.58 20.1 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.35 172.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . 150.44 63.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 28.6 p -172.1 171.01 5.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.426 0.721 . . . . 0.0 110.047 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.553 1.158 . . . . 0.0 111.038 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -169.62 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.536 1.808 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -177.15 114.19 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.8 t -112.64 110.81 52.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -176.05 2.66 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -169.37 144.88 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -159.88 153.83 23.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.43 131.48 0.94 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 1.073 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -132.17 169.41 16.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.8 t -176.26 91.03 0.27 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -170.35 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.535 1.808 . . . . 0.0 110.95 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -151.01 -177.7 6.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -128.17 -47.31 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 110.346 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 71.8 15.87 5.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.48 135.51 35.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 t -173.46 76.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.035 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.401 HG12 ' N ' ' A' ' 89' ' ' ILE . 0.1 OUTLIER -57.92 -165.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.425 ' CG2' ' N ' ' A' ' 90' ' ' ARG . 0.6 OUTLIER -163.83 -152.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.425 ' N ' ' CG2' ' A' ' 89' ' ' ILE . 0.2 OUTLIER 175.1 174.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.27 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -144.1 172.8 12.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.03 171.16 14.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -166.52 94.37 0.11 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.448 1.092 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 115.95 4.44 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.798 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 2.1 ttm -175.18 34.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.8 p90 178.11 179.63 0.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.589 1.181 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -165.09 174.23 10.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.369 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.423 ' N ' ' HD3' ' A' ' 99' ' ' PRO . 0.6 OUTLIER -139.45 63.71 28.74 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.619 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 18.2 Cg_endo -74.98 54.3 3.59 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.492 1.785 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.428 ' HB ' ' N ' ' A' ' 104' ' ' GLY . 12.6 p -84.56 76.69 10.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.601 ' N ' ' CD ' ' A' ' 102' ' ' PRO . 22.7 mt -62.02 -46.67 91.81 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 101' ' ' LEU . 18.4 Cg_endo -74.97 5.57 3.89 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.786 . . . . 0.0 111.047 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 102' ' ' PRO . 0.0 OUTLIER 88.32 5.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.428 ' N ' ' HB ' ' A' ' 100' ' ' THR . . . -173.03 92.32 0.09 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -179.03 111.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.508 ' N ' ' CE3' ' A' ' 105' ' ' TRP . 6.9 t -152.54 146.54 25.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.572 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 5.5 ptp180 -94.75 128.26 41.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.611 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -111.71 122.76 48.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.622 ' CD2' ' HB3' ' A' ' 121' ' ' TYR . 2.2 tt -97.88 143.17 28.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.425 1.078 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.454 ' O ' ' HB3' ' A' ' 121' ' ' TYR . 4.0 mtpt -152.01 -174.67 4.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -93.58 128.64 39.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.327 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -60.23 2.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.9 156.6 45.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.92 39.56 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.954 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 116' ' ' ARG . . . 174.94 -73.4 0.08 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.606 1.191 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 115' ' ' GLY . 0.2 OUTLIER -38.94 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 0.784 . . . . 0.0 110.252 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 118' ' ' ALA . 47.8 t -127.87 39.53 3.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.977 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 117' ' ' SER . . . -39.91 139.0 0.71 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.2 -109.84 0.25 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.484 ' CB ' ' HG3' ' A' ' 166' ' ' PRO . 0.1 OUTLIER -105.76 148.09 27.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.622 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 40.0 m-85 -53.22 -171.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.683 ' C ' HG12 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -139.28 153.53 47.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.612 ' CG2' HG13 ' A' ' 160' ' ' VAL . 1.0 OUTLIER -111.38 150.19 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.611 ' N ' ' O ' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -129.82 122.25 28.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 111.033 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.515 ' CD1' ' OD2' ' A' ' 157' ' ' ASP . 66.0 mt -92.84 113.01 25.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.521 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 4.5 mt -94.37 123.39 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.545 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 1.0 OUTLIER -77.07 -179.97 1.4 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 127' ' ' ASN . 18.4 Cg_endo -75.02 1.51 7.67 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.564 1.823 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.41 -12.35 16.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.247 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 98.76 15.1 35.09 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.521 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.1 OUTLIER -93.94 124.69 38.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.524 ' HB2' ' CE1' ' A' ' 124' ' ' TYR . . . -94.25 140.85 29.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.842 ' CE1' ' CD2' ' A' ' 142' ' ' TYR . 6.3 m-85 -116.52 125.62 52.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.532 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 8.2 mtm180 -98.32 -9.43 25.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.204 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.4 t -142.5 148.1 37.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.974 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.579 ' HG3' ' CD1' ' A' ' 156' ' ' PHE . 1.2 tttm -63.94 -30.88 71.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 1.9 p -59.55 -46.49 92.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.599 ' O ' ' CD2' ' A' ' 142' ' ' TYR . 0.1 OUTLIER -62.63 -22.76 66.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.579 ' HG ' ' CE2' ' A' ' 143' ' ' PHE . 14.3 tp -58.23 -49.31 77.54 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.714 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -63.99 -48.0 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -48.98 -48.23 43.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.842 ' CD2' ' CE1' ' A' ' 133' ' ' PHE . 35.5 m-85 -78.89 -29.21 44.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.742 ' O ' ' N ' ' A' ' 147' ' ' GLY . 5.5 m-30 -81.24 -22.91 38.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.714 ' N ' ' O ' ' A' ' 140' ' ' ILE . 1.1 tm-20 -55.37 -29.02 57.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.499 ' CG ' ' N ' ' A' ' 146' ' ' VAL . 0.0 OUTLIER -89.82 -51.93 5.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.203 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.499 ' N ' ' CG ' ' A' ' 145' ' ' LYS . 12.3 p -84.61 12.46 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.742 ' N ' ' O ' ' A' ' 143' ' ' PHE . . . 37.7 32.46 0.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . 0.599 ' HB2' ' CD2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER 64.82 157.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.77 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.468 ' O ' ' CG2' ' A' ' 149' ' ' THR . 0.3 OUTLIER -156.48 105.96 2.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.439 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 149' ' ' THR . 0.1 OUTLIER 82.52 -71.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -82.26 128.72 34.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 155' ' ' ASP . 11.0 p30 -102.13 156.41 35.27 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . 0.511 ' O ' ' CE ' ' A' ' 136' ' ' LYS . 18.2 Cg_endo -74.94 -15.97 20.6 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.609 1.847 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -80.63 -12.46 59.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . 0.464 ' N ' ' OD2' ' A' ' 152' ' ' ASP . 0.3 OUTLIER -151.74 30.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.671 ' CZ ' ' HB3' ' A' ' 158' ' ' PHE . 5.7 p90 -48.85 146.94 2.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.613 ' CG ' ' CH2' ' A' ' 105' ' ' TRP . 0.0 OUTLIER -61.94 79.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.944 ' CD1' ' O ' ' A' ' 158' ' ' PHE . 0.1 OUTLIER -95.8 114.67 26.43 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' THR . . . . . 0.557 ' OG1' ' CG2' ' A' ' 123' ' ' VAL . 1.1 p -108.6 -112.73 0.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.683 HG12 ' C ' ' A' ' 122' ' ' ASP . 10.3 p -51.96 -38.19 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.49 ' N ' HG11 ' A' ' 160' ' ' VAL . 8.7 t -93.53 13.85 20.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 0.0 110.419 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . 0.622 ' CA ' ' CD2' ' A' ' 158' ' ' PHE . . . -115.18 -98.85 2.21 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -25.03 51.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 160' ' ' VAL . . . -103.16 37.75 3.57 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 78.5 p -83.95 123.58 75.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.057 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . 0.484 ' HG3' ' CB ' ' A' ' 120' ' ' LYS . 18.2 Cg_endo -75.01 -74.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 110.957 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.4 t 65.9 168.57 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.37 1.044 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -112.49 84.09 1.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 74.98 129.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -124.91 170.58 10.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.251 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -136.74 176.47 8.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -171.93 94.74 0.4 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 157.63 42.86 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -175.37 2.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.553 1.817 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -174.79 119.2 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.602 1.189 . . . . 0.0 109.301 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -156.44 168.89 25.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.592 1.183 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . 173.53 142.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.259 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -159.16 171.82 19.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.278 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 32.4 p 178.89 90.16 0.17 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.959 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.41 16.43 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.531 1.806 . . . . 0.0 111.075 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -160.39 153.26 21.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 1.2 t -172.32 90.67 0.41 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.956 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -167.65 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.417 1.746 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -174.97 160.88 30.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 80.8 p -165.69 166.59 17.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 0.732 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -156.75 -176.65 29.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.441 1.088 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -137.95 -177.75 4.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -170.65 118.53 0.76 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . 0.49 ' CG ' ' N ' ' A' ' 190' ' ' GLY . 0.3 OUTLIER -111.4 -149.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.795 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' GLY . . . . . 0.49 ' N ' ' CG ' ' A' ' 189' ' ' ARG . . . -148.27 -141.1 3.44 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.96 148.96 23.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.734 . . . . 0.0 110.312 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -174.51 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.28 146.51 5.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.591 1.182 . . . . 0.0 109.355 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . 80.57 121.13 0.45 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 7.0 p 178.8 -47.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 0.719 . . . . 0.0 109.998 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -69.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.401 1.737 . . . . 0.0 110.989 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 68.17 154.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.465 ' CG2' ' HD2' ' A' ' 76' ' ' PRO . 7.4 p -170.18 140.84 1.64 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 75' ' ' VAL . 18.5 Cg_endo -74.93 -175.72 2.49 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.546 1.814 . . . . 0.0 111.057 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 173.45 169.3 0.16 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 75.66 121.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.437 1.085 . . . . 0.0 109.268 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.459 ' O ' ' CB ' ' A' ' 80' ' ' ALA . 9.2 t -173.93 168.63 4.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.034 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 79' ' ' SER . . . 81.44 143.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 86.1 p -177.66 90.16 0.24 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -170.78 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.566 1.824 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.57 41.62 2.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 60.39 145.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.19 3.48 54.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -41.0 122.98 1.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.7 t -122.49 162.86 20.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.977 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.8 mp -126.98 137.62 57.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.5 ' CG2' ' N ' ' A' ' 90' ' ' ARG . 19.6 mm -115.59 167.26 8.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.5 ' N ' ' CG2' ' A' ' 89' ' ' ILE . 0.0 OUTLIER -152.59 176.02 12.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -175.6 175.38 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.66 -172.16 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.264 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -170.64 -74.87 0.04 OUTLIER Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.503 1.127 . . . . 0.0 111.08 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 173.85 13.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.39 1.731 . . . . 0.0 110.993 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 1.2 mtt -89.25 -7.0 56.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 60.52 128.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 175.64 128.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.17 152.09 24.31 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 65.94 6.06 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.437 1.757 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.498 ' OG1' ' N ' ' A' ' 101' ' ' LEU . 9.6 t -133.24 -142.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.38 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.498 ' N ' ' OG1' ' A' ' 100' ' ' THR . 0.0 OUTLIER -93.41 112.98 58.89 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . 0.449 ' O ' ' CB ' ' A' ' 103' ' ' GLU . 18.2 Cg_endo -75.03 57.56 4.63 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.42 1.748 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 102' ' ' PRO . 1.6 mt-10 164.15 -42.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -83.39 -107.62 0.52 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.442 1.089 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TRP . . . . . 0.579 ' CE3' ' HA ' ' A' ' 127' ' ' ASN . 2.2 t90 -78.24 140.03 38.9 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . 0.542 ' CG2' ' O ' ' A' ' 105' ' ' TRP . 21.7 p -158.88 143.09 15.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.517 ' HG2' ' CD2' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -93.94 124.79 38.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.64 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -114.27 122.33 46.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.586 ' CD2' ' HB3' ' A' ' 121' ' ' TYR . 5.8 tt -96.64 143.93 27.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.62 150.42 19.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -100.92 136.66 40.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -40.66 -47.17 2.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 114' ' ' SER . 0.4 OUTLIER 62.72 135.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.183 . . . . 0.0 109.24 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 0.5 OUTLIER 160.65 -32.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.043 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 102.24 -43.16 1.75 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.455 1.097 . . . . 0.0 111.051 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -38.53 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 110.324 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.4 t -126.98 70.18 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -96.24 138.38 33.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 173.73 -56.4 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -97.56 153.59 18.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.586 ' HB3' ' CD2' ' A' ' 109' ' ' LEU . 0.9 OUTLIER -103.61 -166.03 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.404 1.065 . . . . 0.0 111.027 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.631 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 1.3 t70 -148.71 143.68 26.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.62 ' N ' ' CG1' ' A' ' 160' ' ' VAL . 1.1 t -103.25 135.99 38.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.64 ' N ' ' O ' ' A' ' 108' ' ' LYS . 0.1 OUTLIER -115.8 124.76 51.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.555 HD12 ' CD2' ' A' ' 158' ' ' PHE . 50.5 mt -95.28 114.02 25.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ILE . . . . . 0.713 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 4.9 mt -90.6 118.55 36.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.741 ' HB2' ' CD ' ' A' ' 128' ' ' PRO . 4.5 p30 -88.87 -170.16 0.24 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.768 ' O ' ' CB ' ' A' ' 129' ' ' GLN . 18.3 Cg_endo -74.95 123.67 8.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.768 ' CB ' ' O ' ' A' ' 128' ' ' PRO . 24.0 mt-30 117.93 -12.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 110.222 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 100.4 12.35 38.91 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.396 1.06 . . . . 0.0 111.068 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.713 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 1.8 ttmt -79.11 145.66 33.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 0.796 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.545 ' HB1' ' CE1' ' A' ' 124' ' ' TYR . . . -121.26 152.77 38.5 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PHE . . . . . 0.569 ' CE1' ' HD3' ' A' ' 131' ' ' LYS . 13.2 m-85 -128.05 125.48 39.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ARG . . . . . 0.511 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 2.6 mtp-105 -102.34 1.15 35.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.467 ' HB3' ' CG1' ' A' ' 137' ' ' VAL . 0.4 OUTLIER -141.79 147.83 37.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.058 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.609 ' HA ' ' CE2' ' A' ' 158' ' ' PHE . 12.9 ttpt -68.73 -21.01 64.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 135' ' ' SER . 2.4 p -66.22 -44.91 91.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.569 ' HB3' ' CD1' ' A' ' 133' ' ' PHE . 2.5 tp10 -60.67 -24.01 65.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.322 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 143' ' ' PHE . 10.9 tp -62.39 -49.02 77.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.771 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -62.37 -44.66 99.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -42.7 -50.52 5.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.66 ' CE2' ' ND2' ' A' ' 127' ' ' ASN . 0.2 OUTLIER -89.02 -28.6 20.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.728 ' HB3' ' HA ' ' A' ' 140' ' ' ILE . 45.9 t80 -78.3 -20.59 51.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . 0.771 ' N ' ' O ' ' A' ' 140' ' ' ILE . 4.9 tm-20 -49.89 -50.59 45.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' LYS . . . . . 0.592 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 0.0 OUTLIER 170.23 49.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . 0.603 ' CG1' ' O ' ' A' ' 142' ' ' TYR . 1.3 p -96.5 -10.98 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 110.44 48.32 0.76 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.147 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ASP . . . . . 0.448 ' OD2' ' CG1' ' A' ' 146' ' ' VAL . 44.3 m-20 -129.59 115.97 18.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 0.805 . . . . 0.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 150' ' ' SER . 0.6 OUTLIER -126.43 105.58 8.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.454 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 149' ' ' THR . 3.8 t 161.85 -66.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.127 . . . . 0.0 110.015 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' LEU . . . . . 0.573 HD11 ' CZ2' ' A' ' 105' ' ' TRP . 2.2 mt -84.5 139.54 32.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . 0.506 ' HA ' ' CE1' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -127.96 154.87 78.37 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -6.05 17.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.791 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' A' ' 155' ' ' ASP . 14.7 t30 -97.09 -10.27 26.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 154' ' ' ASN . 0.8 OUTLIER -154.02 44.15 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.264 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.571 ' CD1' ' HB2' ' A' ' 158' ' ' PHE . 7.6 p90 -54.96 -169.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.482 ' HB2' ' CD2' ' A' ' 125' ' ' LEU . 58.4 m-20 -112.7 -14.01 13.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.609 ' CE2' ' HA ' ' A' ' 136' ' ' LYS . 70.0 m-85 -44.24 117.56 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' THR . . . . . 0.525 ' OG1' HG23 ' A' ' 123' ' ' VAL . 61.8 p -110.08 -86.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.631 ' CG1' ' C ' ' A' ' 122' ' ' ASP . 6.2 p -50.22 -27.22 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.067 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' THR . . . . . 0.52 ' HB ' ' H ' ' A' ' 123' ' ' VAL . 7.3 t -120.38 21.52 11.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' GLY . . . . . 0.497 ' HA3' ' O ' ' A' ' 158' ' ' PHE . . . -138.19 -77.42 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.427 1.079 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.0 -11.06 59.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 0.769 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.04 -100.96 2.74 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 8.2 t -89.55 116.83 67.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.011 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -53.84 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.457 1.767 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.99 -163.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.103 . . . . 0.0 109.947 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -123.29 81.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.44 174.76 0.39 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -179.71 121.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.37 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -128.72 151.2 49.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.73 117.67 0.4 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 141.27 26.35 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -72.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.507 1.793 . . . . 0.0 111.008 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 78.93 140.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -163.58 125.45 2.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -124.24 172.71 8.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -171.28 137.17 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.252 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.31 149.37 69.6 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 177.66 8.31 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.512 1.796 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -155.49 145.0 21.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.39 113.72 4.79 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.035 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -170.58 0.8 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.48 1.779 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -169.91 173.25 44.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 30.6 t -179.66 161.94 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.026 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 152.03 115.01 0.63 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.57 154.72 2.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 0.791 . . . . 0.0 110.288 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -109.51 -115.68 3.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.581 1.176 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -119.83 -66.63 1.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 0.731 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . 47.74 69.91 0.83 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.46 94.32 0.59 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.282 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 194' ' ' GLY . 18.2 Cg_endo -75.03 -175.43 2.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.579 1.831 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.25 98.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 192' ' ' PRO . . . -139.81 63.61 0.54 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.53 161.47 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 0.741 . . . . 0.0 110.016 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.934 ' CH2' HD21 ' A' ' 151' ' ' LEU . 2.0 t90 63.96 125.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.605 ' O ' HD12 ' A' ' 126' ' ' ILE . 1.7 m -159.02 149.91 19.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 107' ' ' ARG . 1.3 ttp85 -94.71 126.6 40.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.769 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -115.69 136.0 53.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.945 HD21 ' CB ' ' A' ' 121' ' ' TYR . 6.4 tt -112.63 143.74 43.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.088 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.885 ' N ' HD23 ' A' ' 109' ' ' LEU . 2.8 mmtt -151.42 -179.76 7.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -85.42 136.33 33.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -93.67 40.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 114' ' ' SER . 0.9 OUTLIER -43.9 165.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 1.1 t 86.0 46.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.098 . . . . 0.0 110.054 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 117' ' ' SER . . . -145.55 51.45 0.6 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.515 1.135 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 65.52 -73.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 110.27 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 115' ' ' GLY . 42.5 t -127.35 23.33 6.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 39.63 -154.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 166.41 -109.1 0.34 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -76.9 152.86 35.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.945 ' CB ' HD21 ' A' ' 109' ' ' LEU . 12.5 m-85 -70.07 -159.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.646 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 0.3 OUTLIER -148.11 141.39 25.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.879 HG21 ' OG1' ' A' ' 159' ' ' THR . 1.2 t -97.6 148.46 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.819 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -131.21 123.96 29.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.037 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' ' 157' ' ' ASP . 81.6 mt -98.67 113.92 26.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.652 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 2.9 mt -92.47 122.78 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.468 ' ND2' ' HD2' ' A' ' 128' ' ' PRO . 0.5 OUTLIER -72.32 175.22 3.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.623 ' HD3' ' CE3' ' A' ' 105' ' ' TRP . 18.2 Cg_endo -74.99 62.08 5.78 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.411 ' HG2' ' H ' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -169.86 -38.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 137.74 -7.46 3.58 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.652 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -72.23 127.49 32.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.819 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -101.72 147.14 26.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.459 ' CD2' ' O ' ' A' ' 125' ' ' LEU . 31.1 m-85 -116.35 123.94 48.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.6 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 4.7 mtm180 -109.66 -4.7 15.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.553 ' HB3' HG12 ' A' ' 137' ' ' VAL . 72.7 m -141.28 146.56 36.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -63.23 -19.74 64.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.553 HG12 ' HB3' ' A' ' 135' ' ' SER . 0.2 OUTLIER -70.29 -50.34 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -59.87 -23.19 63.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.863 HD11 ' CZ ' ' A' ' 143' ' ' PHE . 11.4 tp -61.84 -50.13 73.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.756 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.2 OUTLIER -61.08 -46.12 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -41.6 -49.52 4.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' TYR . . . . . 0.787 ' O ' HG12 ' A' ' 146' ' ' VAL . 2.0 m-85 -89.77 -31.55 17.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.863 ' CZ ' HD11 ' A' ' 139' ' ' LEU . 3.3 m-85 -75.72 -19.29 59.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' GLU . . . . . 0.756 ' N ' ' O ' ' A' ' 140' ' ' ILE . 0.8 OUTLIER -47.04 -50.18 19.93 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.538 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 3.5 ptmt 177.61 57.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 142' ' ' TYR . 0.8 OUTLIER -109.63 -10.22 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 142.43 -70.59 0.42 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ASP . . . . . 0.437 ' OD1' ' HA ' ' A' ' 143' ' ' PHE . 70.7 m-20 58.51 161.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' THR . . . . . 0.676 HG22 ' N ' ' A' ' 150' ' ' SER . 0.7 OUTLIER -106.23 -69.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.676 ' N ' HG22 ' A' ' 149' ' ' THR . 46.4 t -169.16 51.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.934 HD21 ' CH2' ' A' ' 105' ' ' TRP . 0.5 OUTLIER -141.33 132.94 27.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ASP . . . . . 0.508 ' OD1' ' CB ' ' A' ' 154' ' ' ASN . 2.4 p-10 -103.84 166.36 11.82 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 152' ' ' ASP . 18.3 Cg_endo -74.99 -19.68 17.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.508 ' CB ' ' OD1' ' A' ' 152' ' ' ASP . 7.9 t30 -72.74 -8.65 56.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ASP . . . . . 0.441 ' N ' ' OD2' ' A' ' 152' ' ' ASP . 6.8 t70 -153.55 50.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' A' ' 158' ' ' PHE . 2.9 p90 -48.87 -177.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.59 ' OD1' HD13 ' A' ' 151' ' ' LEU . 9.7 m-20 -104.77 -9.11 18.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.675 ' HA ' HG11 ' A' ' 123' ' ' VAL . 5.7 m-30 -46.44 124.22 5.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' THR . . . . . 0.879 ' OG1' HG21 ' A' ' 123' ' ' VAL . 72.5 p -110.51 -85.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.941 HG21 ' HB2' ' A' ' 121' ' ' TYR . 6.1 p -51.9 -27.52 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.5 ' HB ' ' H ' ' A' ' 123' ' ' VAL . 9.3 t -119.08 20.46 12.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' GLY . . . . . 0.513 ' HA3' ' O ' ' A' ' 158' ' ' PHE . . . -131.84 -76.2 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.21 -10.51 59.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.463 ' O ' ' CB ' ' A' ' 105' ' ' TRP . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.609 ' C ' ' CD1' ' A' ' 105' ' ' TRP . 0.0 OUTLIER 164.66 124.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.483 HG22 ' H ' ' A' ' 107' ' ' ARG . 11.4 m -153.5 173.75 15.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.548 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -91.49 128.9 37.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.713 ' HZ1' HD12 ' A' ' 126' ' ' ILE . 0.0 OUTLIER -111.15 125.87 54.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.926 HD21 ' CB ' ' A' ' 121' ' ' TYR . 6.3 tt -102.78 143.27 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.801 ' N ' HD23 ' A' ' 109' ' ' LEU . 2.3 mtpt -153.04 171.96 17.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.463 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 1.8 mt-30 -87.11 130.98 34.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.26 8.82 40.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.486 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 6.9 ttpt -41.6 -78.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER 39.08 29.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.03 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 113' ' ' LYS . . . -148.38 -91.08 0.09 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.25 -70.32 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 0.729 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 118' ' ' ALA . 47.0 t -128.77 48.95 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.486 ' HB2' ' HA ' ' A' ' 113' ' ' LYS . . . -37.09 -88.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 173.05 -101.68 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.592 1.183 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 121' ' ' TYR . 0.2 OUTLIER -103.11 155.97 18.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 0.724 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.926 ' CB ' HD21 ' A' ' 109' ' ' LEU . 8.1 m-85 -55.94 -155.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.559 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 0.3 OUTLIER -148.76 150.15 32.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 1.013 HG21 ' OG1' ' A' ' 159' ' ' THR . 1.2 t -108.54 148.97 12.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.763 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -133.66 123.02 24.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 110.981 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.56 HD21 ' OD1' ' A' ' 157' ' ' ASP . 55.3 mt -96.51 114.12 25.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.713 HD12 ' HZ1' ' A' ' 108' ' ' LYS . 10.0 mt -95.85 119.93 44.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.519 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 1.0 OUTLIER -70.71 179.25 0.91 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.519 ' CD ' ' CB ' ' A' ' 127' ' ' ASN . 18.3 Cg_endo -74.99 2.99 6.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.556 1.819 . . . . 0.0 110.976 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.48 ' NE2' ' OH ' ' A' ' 142' ' ' TYR . 0.0 OUTLIER -104.03 -22.51 13.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 111.37 10.02 20.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.595 1.185 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.584 ' HG2' ' CE1' ' A' ' 133' ' ' PHE . 1.1 ttmt -90.01 124.35 34.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.763 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -94.65 139.24 31.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.584 ' CE1' ' HG2' ' A' ' 131' ' ' LYS . 26.8 m-85 -113.93 125.53 54.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 1.6 mtm180 -99.13 -7.61 26.39 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.48 ' HB3' ' CG1' ' A' ' 137' ' ' VAL . 0.4 OUTLIER -141.58 147.74 38.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.049 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.663 ' CD ' ' CE2' ' A' ' 156' ' ' PHE . 12.0 ttpt -66.51 -21.75 66.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.087 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' A' ' 135' ' ' SER . 2.3 p -67.04 -46.86 83.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -24.27 65.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.924 HD11 HD21 ' A' ' 151' ' ' LEU . 11.9 tp -60.36 -48.77 80.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.774 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -61.77 -44.79 99.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -44.56 -49.89 9.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' TYR . . . . . 0.855 ' O ' HG12 ' A' ' 146' ' ' VAL . 0.1 OUTLIER -86.39 -28.97 23.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.685 ' HB3' ' HA ' ' A' ' 140' ' ' ILE . 45.0 t80 -79.16 -21.28 46.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' GLU . . . . . 0.774 ' N ' ' O ' ' A' ' 140' ' ' ILE . 0.8 OUTLIER -49.52 -45.4 47.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.358 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.609 ' O ' ' CG ' ' A' ' 145' ' ' LYS . 4.1 ttpt 162.08 66.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.855 HG12 ' O ' ' A' ' 142' ' ' TYR . 9.8 p -102.21 -8.03 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.12 3.4 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ASP . . . . . 0.455 ' OD1' ' ND2' ' A' ' 127' ' ' ASN . 48.5 m-20 -138.41 124.74 20.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.791 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 149' ' ' THR . 0.6 OUTLIER -131.48 108.44 9.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.9 t 169.78 -46.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.993 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.924 HD21 HD11 ' A' ' 139' ' ' LEU . 0.2 OUTLIER -100.75 110.46 22.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ASP . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -107.45 178.74 1.01 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 153' ' ' PRO . . . . . 0.616 ' O ' ' CD1' ' A' ' 156' ' ' PHE . 18.5 Cg_endo -74.96 -22.65 14.69 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -95.42 -13.23 24.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -100.25 -13.05 19.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.663 ' CE2' ' CD ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -52.28 142.64 16.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.979 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.56 ' OD1' HD21 ' A' ' 125' ' ' LEU . 1.2 p30 -85.94 -66.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.677 ' CD2' HG23 ' A' ' 161' ' ' THR . 0.6 OUTLIER 50.39 114.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 159' ' ' THR . . . . . 1.013 ' OG1' HG21 ' A' ' 123' ' ' VAL . 0.1 OUTLIER -104.74 -96.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.396 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.989 HG12 HG23 ' A' ' 123' ' ' VAL . 13.7 p -49.86 -19.21 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.677 HG23 ' CD2' ' A' ' 158' ' ' PHE . 2.2 t -117.75 19.93 13.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' GLY . . . . . 0.495 ' HA3' ' HB3' ' A' ' 158' ' ' PHE . . . -127.4 -80.5 0.31 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.122 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -10.94 59.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.616 ' N ' ' CD1' ' A' ' 105' ' ' TRP . 0.0 OUTLIER -106.01 100.02 9.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.766 ' O ' HD12 ' A' ' 126' ' ' ILE . 0.7 OUTLIER -157.02 159.69 38.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.353 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.605 ' CB ' HD23 ' A' ' 125' ' ' LEU . 5.4 ppt_? -96.53 121.31 38.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.774 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -110.33 154.68 23.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.902 HD11 ' HB ' ' A' ' 160' ' ' VAL . 3.0 tt -116.12 141.61 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 122' ' ' ASP . 0.5 OUTLIER -162.3 147.28 12.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.488 ' CB ' ' HA ' ' A' ' 121' ' ' TYR . 18.3 pt20 -99.06 137.02 38.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.26 -81.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 176.35 74.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.5 77.4 4.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 132.6 -167.24 23.21 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.448 1.093 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -48.88 -87.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 118' ' ' ALA . 39.4 t -103.75 13.51 32.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 117' ' ' SER . . . 40.63 -131.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 129.46 -27.66 4.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.64 154.55 20.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.883 ' HB2' HD21 ' A' ' 109' ' ' LEU . 8.2 m-85 -66.11 -168.38 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.412 1.07 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.588 ' C ' HG11 ' A' ' 160' ' ' VAL . 0.3 OUTLIER -144.04 154.49 43.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 1.036 HG23 HG12 ' A' ' 160' ' ' VAL . 1.2 t -96.22 149.35 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.774 ' N ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -136.77 121.48 18.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.861 HD11 ' O ' ' A' ' 157' ' ' ASP . 45.1 mt -105.32 113.47 27.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.766 HD12 ' O ' ' A' ' 106' ' ' THR . 0.9 OUTLIER -96.68 131.36 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.209 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.638 ' OD1' ' CE2' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -87.07 -177.3 0.87 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.592 ' CD ' ' CB ' ' A' ' 127' ' ' ASN . 18.5 Cg_endo -74.91 49.28 2.18 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.526 1.803 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -143.08 -53.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 147.38 -21.81 1.53 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.563 1.165 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.602 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 6.1 tttp -71.06 143.79 50.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.644 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -112.5 140.29 47.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.638 ' CE2' ' OD1' ' A' ' 127' ' ' ASN . 16.1 m-85 -104.05 125.94 50.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.501 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 23.7 mtm180 -86.43 -13.84 45.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.553 1.158 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.473 ' HB3' ' CG1' ' A' ' 137' ' ' VAL . 0.9 OUTLIER -142.07 149.05 39.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.013 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.648 ' CE ' ' CZ ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -66.18 -27.09 67.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 135' ' ' SER . 2.3 p -59.11 -42.2 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -23.22 65.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.616 HD11 ' CD1' ' A' ' 151' ' ' LEU . 12.4 tp -58.26 -51.18 70.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.723 HD12 ' HG3' ' A' ' 153' ' ' PRO . 0.0 OUTLIER -62.25 -44.81 99.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -43.95 -48.84 8.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' TYR . . . . . 0.915 ' O ' HG12 ' A' ' 146' ' ' VAL . 1.7 t80 -82.24 -35.28 28.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.719 ' O ' ' HA2' ' A' ' 147' ' ' GLY . 0.0 OUTLIER -72.13 -23.88 61.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 144' ' ' GLU . . . . . 0.71 ' N ' ' O ' ' A' ' 140' ' ' ILE . 4.8 tm-20 -51.75 -20.99 2.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.406 1.066 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -124.77 -63.23 1.19 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.915 HG12 ' O ' ' A' ' 142' ' ' TYR . 10.8 p -80.27 2.98 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 109.242 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.719 ' HA2' ' O ' ' A' ' 143' ' ' PHE . . . 37.41 26.57 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 146' ' ' VAL . 73.5 m-20 33.16 90.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 149' ' ' THR . 0.6 OUTLIER -81.21 93.89 6.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.389 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.589 ' CB ' ' O ' ' A' ' 149' ' ' THR . 0.5 OUTLIER 151.85 -53.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.383 1.052 . . . . 0.0 109.987 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.616 ' CD1' HD11 ' A' ' 139' ' ' LEU . 1.0 OUTLIER -132.72 107.85 8.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ASP . . . . . 0.482 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . 0.2 OUTLIER -98.82 177.1 1.68 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 153' ' ' PRO . . . . . 0.723 ' HG3' HD12 ' A' ' 140' ' ' ILE . 18.5 Cg_endo -75.07 -5.63 17.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 111.029 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -102.14 2.85 37.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -165.16 47.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.648 ' CZ ' ' CE ' ' A' ' 136' ' ' LYS . 47.6 p90 -95.01 168.22 10.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 111.061 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.861 ' O ' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -106.6 131.2 54.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.641 ' N ' ' CD1' ' A' ' 158' ' ' PHE . 0.2 OUTLIER -152.77 106.29 3.05 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 159' ' ' THR . . . . . 0.914 ' H ' HG21 ' A' ' 123' ' ' VAL . 0.8 OUTLIER -106.6 -96.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.401 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 1.036 HG12 HG23 ' A' ' 123' ' ' VAL . 12.6 p -46.92 -23.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.579 HG22 ' CG1' ' A' ' 123' ' ' VAL . 1.3 t -116.51 19.41 14.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' GLY . . . . . 0.435 ' HA3' ' CD2' ' A' ' 158' ' ' PHE . . . -138.89 -112.97 1.09 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.564 1.165 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 163' ' ' ARG . . . . . 0.407 ' N ' ' HD2' ' A' ' 163' ' ' ARG . 15.7 mmm180 -77.28 -23.47 51.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 0.723 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.112 . . . . 0.0 111.028 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 105' ' ' TRP . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.593 ' CD1' ' HB3' ' A' ' 128' ' ' PRO . 0.0 OUTLIER -35.51 102.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.461 HG22 HD12 ' A' ' 126' ' ' ILE . 1.2 t -155.31 154.07 31.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.41 1.069 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 1.1 tmm_? -94.6 130.2 41.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.325 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.636 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -117.22 128.78 55.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.392 1.057 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.866 HD21 ' HB2' ' A' ' 121' ' ' TYR . 0.8 OUTLIER -97.44 143.25 28.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 122' ' ' ASP . 0.6 OUTLIER -164.94 145.64 7.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.37 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -100.84 135.0 42.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.01 77.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -69.9 74.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.388 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.03 59.47 1.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -159.55 -167.09 19.71 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -55.01 -74.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 110.302 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.5 t -131.26 87.09 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.0 -147.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.386 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 124.05 -34.64 3.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.415 1.072 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -84.79 146.51 27.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.898 ' HB2' HG21 ' A' ' 160' ' ' VAL . 1.3 m-85 -85.98 -172.23 3.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.596 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 0.3 OUTLIER -147.52 151.44 36.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.586 1.178 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.837 HG23 HG12 ' A' ' 160' ' ' VAL . 1.2 t -102.12 147.42 8.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.774 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -133.65 121.8 22.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.783 HD21 ' HB3' ' A' ' 157' ' ' ASP . 59.4 mt -97.38 114.28 26.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.53 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 3.0 mt -92.84 124.05 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.61 1.193 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.836 ' HB2' ' HD2' ' A' ' 128' ' ' PRO . 53.2 p30 -78.93 176.5 3.64 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.836 ' HD2' ' HB2' ' A' ' 127' ' ' ASN . 18.4 Cg_endo -75.08 15.59 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.462 ' H ' ' C ' ' A' ' 127' ' ' ASN . 13.1 mt-30 -117.6 -11.41 10.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.224 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.484 ' N ' ' OD1' ' A' ' 127' ' ' ASN . . . 98.73 9.47 52.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 111.073 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.7 OUTLIER -91.29 127.62 36.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 0.805 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.774 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -95.35 141.76 28.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.869 ' CE1' ' CD2' ' A' ' 142' ' ' TYR . 8.2 m-30 -119.68 125.7 49.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 0.8 OUTLIER -99.82 1.28 42.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.23 145.7 35.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.048 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.51 ' HD2' ' CE2' ' A' ' 156' ' ' PHE . 0.7 OUTLIER -69.44 -34.64 74.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.54 -41.5 82.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.642 ' O ' ' CD2' ' A' ' 142' ' ' TYR . 0.5 OUTLIER -64.47 -22.46 66.97 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.759 HD11 HD11 ' A' ' 151' ' ' LEU . 13.4 tp -56.18 -49.18 74.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.5 OUTLIER -59.52 -47.85 89.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 138' ' ' GLU . . . -41.34 -50.54 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.075 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' TYR . . . . . 0.869 ' CD2' ' CE1' ' A' ' 133' ' ' PHE . 29.5 m-85 -86.01 -42.71 13.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.401 1.063 . . . . 0.0 110.996 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.602 ' CE1' ' OD1' ' A' ' 152' ' ' ASP . 1.0 OUTLIER -59.36 -24.79 63.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 144' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 140' ' ' ILE . 2.5 tm-20 -52.0 -33.09 36.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 0.4 OUTLIER -178.05 62.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.656 ' HB ' ' O ' ' A' ' 142' ' ' TYR . 7.4 p -111.99 -12.6 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 148' ' ' ASP . . . 89.96 30.75 12.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ASP . . . . . 0.432 ' OD1' ' HA ' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -38.08 113.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.249 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 149' ' ' THR . . . . . 0.488 ' CG2' ' NE1' ' A' ' 105' ' ' TRP . 0.6 OUTLIER -93.31 2.53 56.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.455 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.4 t 168.34 -40.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 110.007 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.759 HD11 HD11 ' A' ' 139' ' ' LEU . 0.7 OUTLIER -71.95 97.15 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ASP . . . . . 0.602 ' OD1' ' CE1' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -129.29 172.24 7.47 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 153' ' ' PRO . . . . . 0.641 ' O ' ' CE2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -75.05 -6.1 17.59 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -96.5 -17.26 20.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -133.57 19.45 3.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.641 ' CE2' ' O ' ' A' ' 153' ' ' PRO . 0.0 OUTLIER -53.58 -174.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.398 1.061 . . . . 0.0 110.965 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.783 ' HB3' HD21 ' A' ' 125' ' ' LEU . 10.3 t70 -124.4 -50.76 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.678 ' O ' ' CG ' ' A' ' 158' ' ' PHE . 2.0 p90 12.43 89.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' THR . . . . . 0.774 ' OG1' HG21 ' A' ' 123' ' ' VAL . 1.5 p -109.19 -87.48 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 110.398 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.898 HG21 ' HB2' ' A' ' 121' ' ' TYR . 9.9 p -47.12 -27.18 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.671 HG22 ' HB ' ' A' ' 123' ' ' VAL . 11.6 t -119.95 21.32 11.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' GLY . . . . . 0.568 ' HA3' ' CD2' ' A' ' 158' ' ' PHE . . . -141.14 -99.9 0.39 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 163' ' ' ARG . . . . . 0.618 ' CD ' ' CE2' ' A' ' 158' ' ' PHE . 12.3 mmm180 -76.68 -24.12 53.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 0.727 . . . . 0.0 110.376 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 159' ' ' THR . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.398 1.061 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.602 ' C ' ' CD1' ' A' ' 105' ' ' TRP . 0.1 OUTLIER -121.06 116.58 25.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.445 HG22 ' N ' ' A' ' 107' ' ' ARG . 18.1 m -159.42 167.24 29.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.489 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 4.4 ttp85 -95.39 130.03 42.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.642 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -116.83 127.54 54.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.938 HD21 ' CB ' ' A' ' 121' ' ' TYR . 7.0 tt -100.67 139.88 35.72 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.549 ' N ' HD23 ' A' ' 109' ' ' LEU . 14.5 pttt -149.46 139.78 22.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.403 ' HG2' ' N ' ' A' ' 112' ' ' ARG . 2.3 tm0? -101.23 138.73 37.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER -159.4 -75.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 110.256 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 162.31 122.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 115' ' ' GLY . 80.6 p -118.19 38.11 3.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 114' ' ' SER . . . 37.29 -157.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.75 -89.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 118' ' ' ALA . 31.2 t -95.4 -46.15 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 117' ' ' SER . . . 55.26 162.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 104.94 -21.09 36.93 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -101.05 154.69 18.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 1.069 ' HB2' HG21 ' A' ' 160' ' ' VAL . 1.2 m-85 -69.7 -153.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.683 ' O ' ' HG ' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -147.45 153.46 39.6 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.973 HG23 HG12 ' A' ' 160' ' ' VAL . 0.9 OUTLIER -117.54 145.82 22.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.816 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -133.77 120.72 20.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 111.076 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.539 HD12 ' CZ ' ' A' ' 158' ' ' PHE . 69.2 mt -96.97 112.61 24.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.61 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 1.2 mt -97.03 123.54 49.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.605 ' HB2' ' HD2' ' A' ' 128' ' ' PRO . 4.9 p-10 -74.99 176.73 2.78 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.231 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.605 ' HD2' ' HB2' ' A' ' 127' ' ' ASN . 18.5 Cg_endo -74.98 52.47 3.06 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.441 1.759 . . . . 0.0 111.043 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.437 ' HB2' ' OD1' ' A' ' 127' ' ' ASN . 54.9 mt-30 -152.58 -44.3 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 142.12 -16.52 2.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.61 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -71.14 133.79 46.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.476 0.751 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.816 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -108.77 145.87 34.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.525 ' CE1' ' HD2' ' A' ' 131' ' ' LYS . 49.3 m-85 -111.15 127.19 55.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.517 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 5.5 mtm180 -102.43 -2.64 28.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.73 ' OG ' HG12 ' A' ' 137' ' ' VAL . 10.0 t -141.8 147.02 36.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.644 ' HA ' ' CE2' ' A' ' 158' ' ' PHE . 5.6 ttpt -64.61 -30.68 71.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.73 HG12 ' OG ' ' A' ' 135' ' ' SER . 1.0 OUTLIER -60.03 -46.64 93.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.451 1.094 . . . . 0.0 109.207 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -24.01 64.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 151' ' ' LEU . 12.8 tp -59.4 -48.91 79.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.663 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -63.07 -45.75 97.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -41.38 -50.59 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' TYR . . . . . 0.64 ' O ' ' HB ' ' A' ' 146' ' ' VAL . 1.1 m-85 -88.77 -39.42 13.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.612 ' HB3' ' HA ' ' A' ' 140' ' ' ILE . 79.0 t80 -65.44 -21.19 66.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' GLU . . . . . 0.663 ' N ' ' O ' ' A' ' 140' ' ' ILE . 1.1 tm-20 -49.0 -43.94 40.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 145' ' ' LYS . 8.9 pttt -176.84 68.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.64 ' HB ' ' O ' ' A' ' 142' ' ' TYR . 9.1 p -109.15 -10.2 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.94 11.28 53.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ASP . . . . . 0.479 ' OD1' ' CG ' ' A' ' 128' ' ' PRO . 32.3 m-20 -93.48 94.78 8.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 0.755 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 149' ' ' THR . 0.8 OUTLIER -100.53 100.31 11.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.424 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 149' ' ' THR . 1.3 t 157.27 -52.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 139' ' ' LEU . 0.1 OUTLIER -88.81 119.78 29.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ASP . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -127.07 170.82 9.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 153' ' ' PRO . . . . . 0.517 ' HD3' ' CE2' ' A' ' 143' ' ' PHE . 18.5 Cg_endo -74.93 -9.9 21.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.04 -8.76 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.249 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -142.82 30.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.498 ' CD2' ' O ' ' A' ' 153' ' ' PRO . 0.6 OUTLIER -55.44 -169.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 111.029 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.713 ' O ' HG23 ' A' ' 159' ' ' THR . 0.1 OUTLIER -121.27 -2.17 9.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.796 ' HA ' HG11 ' A' ' 123' ' ' VAL . 66.1 m-85 -49.14 113.3 0.77 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' THR . . . . . 0.895 ' OG1' HG21 ' A' ' 123' ' ' VAL . 21.5 p -108.34 -92.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 110.397 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 1.069 HG21 ' HB2' ' A' ' 121' ' ' TYR . 7.8 p -49.04 -22.57 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.789 HG22 ' HB ' ' A' ' 123' ' ' VAL . 2.8 t -120.78 20.77 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 158' ' ' PHE . . . -137.34 -78.03 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -9.25 58.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 0.732 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 110.953 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.77 ' O ' HG23 ' A' ' 106' ' ' THR . 0.0 OUTLIER 61.39 91.49 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.77 HG23 ' O ' ' A' ' 105' ' ' TRP . 1.2 p -162.09 179.07 8.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.619 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -88.16 128.13 35.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.327 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.697 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.6 OUTLIER -111.39 130.06 55.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.87 HD21 ' HB2' ' A' ' 121' ' ' TYR . 2.1 tt -101.74 142.57 32.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.524 ' N ' HD23 ' A' ' 109' ' ' LEU . 1.6 mtpt -151.27 -174.65 4.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -95.15 138.58 32.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.17 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.773 HH11 ' HB1' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -110.83 -176.47 2.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.52 177.28 4.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.2 m 38.32 57.98 1.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.0 110.027 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 117' ' ' SER . . . -134.85 54.84 0.75 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? 64.92 -75.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.766 . . . . 0.0 110.226 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 115' ' ' GLY . 42.7 t -123.52 55.36 1.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.061 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.773 ' HB1' HH11 ' A' ' 112' ' ' ARG . . . -51.62 157.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 165.17 -58.81 0.25 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.552 1.158 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.471 ' O ' ' NE ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -80.76 142.79 33.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.87 ' HB2' HD21 ' A' ' 109' ' ' LEU . 15.5 m-85 -52.67 -171.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 111.069 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.568 ' C ' HG11 ' A' ' 160' ' ' VAL . 0.5 OUTLIER -140.99 153.17 45.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 1.086 HG21 ' OG1' ' A' ' 159' ' ' THR . 0.9 OUTLIER -107.37 150.21 10.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.726 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -130.45 124.5 32.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.483 HD22 ' OD2' ' A' ' 157' ' ' ASP . 81.8 mt -95.54 113.64 25.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.627 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 3.2 mt -96.26 122.47 47.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.821 ' OD1' HD23 ' A' ' 151' ' ' LEU . 1.0 OUTLIER -73.16 179.66 1.09 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.586 ' HG3' HG21 ' A' ' 149' ' ' THR . 18.3 Cg_endo -75.0 1.86 7.27 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.479 1.778 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -100.29 -27.37 13.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 118.22 1.68 16.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.627 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -84.57 132.98 34.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 0.809 . . . . 0.0 109.25 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.726 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -103.87 143.03 33.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.597 ' CD1' ' HB3' ' A' ' 138' ' ' GLU . 7.3 m-85 -114.63 125.81 54.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.546 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 4.6 mtp180 -93.15 -4.16 52.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.52 146.16 37.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.499 ' HE2' ' CE2' ' A' ' 156' ' ' PHE . 14.9 ttmt -69.49 -27.94 65.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.2 p -59.47 -41.29 84.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.238 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.597 ' HB3' ' CD1' ' A' ' 133' ' ' PHE . 4.5 tp10 -62.07 -23.6 66.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.974 HD11 HD11 ' A' ' 151' ' ' LEU . 11.7 tp -60.44 -48.18 82.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.788 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.3 OUTLIER -61.53 -45.33 98.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -44.31 -49.14 9.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' TYR . . . . . 0.922 ' O ' HG12 ' A' ' 146' ' ' VAL . 0.2 OUTLIER -87.12 -28.72 22.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 111.036 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.66 ' HB3' ' HA ' ' A' ' 140' ' ' ILE . 6.4 t80 -80.51 -20.17 44.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' GLU . . . . . 0.788 ' N ' ' O ' ' A' ' 140' ' ' ILE . 2.5 tm-20 -48.67 -50.34 33.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.07 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 0.0 OUTLIER 169.19 41.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.922 HG12 ' O ' ' A' ' 142' ' ' TYR . 0.9 OUTLIER -87.68 -11.02 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 147.88 -40.61 0.95 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.443 1.089 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ASP . . . . . 0.461 ' CG ' ' N ' ' A' ' 149' ' ' THR . 0.0 OUTLIER 55.42 168.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 149' ' ' THR . . . . . 0.757 HG22 ' N ' ' A' ' 150' ' ' SER . 0.6 OUTLIER -158.68 -72.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.475 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.757 ' N ' HG22 ' A' ' 149' ' ' THR . 9.9 t -159.98 34.23 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.009 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.974 HD11 HD11 ' A' ' 139' ' ' LEU . 0.2 OUTLIER -138.86 112.55 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ASP . . . . . 0.58 ' OD1' ' CZ ' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -125.21 168.76 12.69 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 153' ' ' PRO . . . . . 0.613 ' O ' ' CE2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -74.98 -6.0 17.51 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -100.91 -13.26 18.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.04 18.6 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.834 ' CE1' ' CE1' ' A' ' 158' ' ' PHE . 0.0 OUTLIER -55.54 -172.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.928 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.565 ' O ' HG23 ' A' ' 159' ' ' THR . 0.0 OUTLIER -124.51 0.42 8.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.834 ' CE1' ' CE1' ' A' ' 156' ' ' PHE . 0.1 OUTLIER -38.36 103.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 111.056 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 159' ' ' THR . . . . . 1.086 ' OG1' HG21 ' A' ' 123' ' ' VAL . 0.7 OUTLIER -108.8 -95.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.396 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.794 ' HB ' HD11 ' A' ' 109' ' ' LEU . 10.6 p -49.53 -38.63 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.489 ' HB ' ' H ' ' A' ' 123' ' ' VAL . 8.3 t -91.42 -23.97 19.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.411 1.069 . . . . 0.0 110.375 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' GLY . . . . . 0.458 ' CA ' ' HB2' ' A' ' 158' ' ' PHE . . . -70.41 -41.95 66.0 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -76.31 -24.17 54.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.15 . . . . 0.0 110.965 179.942 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 105' ' ' TRP . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.717 ' CE3' ' O ' ' A' ' 126' ' ' ILE . 1.8 p-90 178.77 152.91 0.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.542 ' N ' ' CE3' ' A' ' 105' ' ' TRP . 1.6 p -152.47 169.18 23.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -95.81 120.2 35.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.636 ' N ' ' O ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -107.84 138.05 44.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.999 HD11 ' HB ' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -94.94 143.37 26.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.458 ' HG3' ' CB ' ' A' ' 122' ' ' ASP . 0.0 OUTLIER -131.89 167.87 18.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.579 ' HB2' ' CE2' ' A' ' 121' ' ' TYR . 35.3 tt0 -95.23 135.52 36.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.344 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER 162.52 135.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.267 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -152.09 -77.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.395 1.059 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 115' ' ' GLY . 25.6 t -179.05 36.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 117' ' ' SER . . . 43.64 -168.53 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? 62.7 -76.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.4 0.706 . . . . 0.0 110.347 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 115' ' ' GLY . 35.4 t -132.41 51.79 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 110.059 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 113' ' ' LYS . . . -55.78 -104.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 92.62 -54.99 2.7 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.39 144.18 44.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 0.808 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.592 ' O ' HG22 ' A' ' 160' ' ' VAL . 3.0 m-85 -101.96 -174.14 2.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.561 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 0.1 OUTLIER -119.0 155.91 30.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.367 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 1.054 HG23 HG12 ' A' ' 160' ' ' VAL . 0.9 OUTLIER -101.18 149.44 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.713 ' CE2' ' HB3' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -136.47 120.5 17.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 110.999 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.998 HD11 ' O ' ' A' ' 157' ' ' ASP . 63.3 mt -105.4 116.63 32.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.721 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 2.4 mt -92.03 149.41 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.641 ' ND2' ' CE2' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -102.83 178.47 1.19 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.211 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 127' ' ' ASN . 18.4 Cg_endo -75.01 44.81 1.23 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.51 1.794 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.417 ' H ' ' C ' ' A' ' 127' ' ' ASN . 39.5 mt-30 -145.9 -45.66 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 143.5 -15.61 2.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.721 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 5.9 ttmt -68.41 146.76 52.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.713 ' HB3' ' CE2' ' A' ' 124' ' ' TYR . . . -122.19 131.06 53.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.641 ' CE2' ' ND2' ' A' ' 127' ' ' ASN . 12.4 m-85 -96.53 125.01 40.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.573 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 4.0 mtp-105 -81.93 -19.87 39.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.985 ' OG ' HG12 ' A' ' 137' ' ' VAL . 39.0 t -143.35 151.66 40.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.945 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.587 ' HD2' ' CE1' ' A' ' 156' ' ' PHE . 12.7 ttpt -64.13 -25.62 68.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.985 HG12 ' OG ' ' A' ' 135' ' ' SER . 2.3 p -57.84 -46.67 87.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.14 -23.95 57.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.576 HD11 ' CD1' ' A' ' 151' ' ' LEU . 12.6 tp -59.23 -48.93 79.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.758 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -60.39 -46.27 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.376 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -44.16 -47.75 9.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' TYR . . . . . 0.942 ' O ' HG12 ' A' ' 146' ' ' VAL . 0.1 OUTLIER -82.49 -29.12 30.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.611 1.195 . . . . 0.0 110.937 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.528 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -81.26 -21.57 39.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 144' ' ' GLU . . . . . 0.758 ' N ' ' O ' ' A' ' 140' ' ' ILE . 0.2 OUTLIER -50.16 -52.5 34.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.645 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 0.0 OUTLIER 172.2 58.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.942 HG12 ' O ' ' A' ' 142' ' ' TYR . 1.4 p -106.15 -11.61 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 92.96 45.0 3.71 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.66 161.21 13.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' THR . . . . . 0.603 HG22 ' O ' ' A' ' 149' ' ' THR . 0.3 OUTLIER -162.49 102.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.435 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.42 ' OG ' ' CD1' ' A' ' 105' ' ' TRP . 10.2 t 169.73 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.687 HD22 ' CE2' ' A' ' 105' ' ' TRP . 0.7 OUTLIER -98.84 134.99 40.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ASP . . . . . 0.415 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . 0.3 OUTLIER -124.43 173.52 4.62 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 153' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 152' ' ' ASP . 18.3 Cg_endo -74.93 -3.18 13.53 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.515 1.798 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.47 -5.28 27.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.4 33.49 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.587 ' CE1' ' HD2' ' A' ' 136' ' ' LYS . 54.7 p90 -70.88 -160.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.998 ' O ' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -146.06 160.68 41.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.701 ' O ' ' CD1' ' A' ' 158' ' ' PHE . 0.1 OUTLIER 177.46 111.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 110.986 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 159' ' ' THR . . . . . 0.923 ' H ' HG21 ' A' ' 123' ' ' VAL . 24.8 p -106.8 -92.33 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 1.054 HG12 HG23 ' A' ' 123' ' ' VAL . 9.3 p -49.02 -21.62 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.358 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.547 HG22 ' CG1' ' A' ' 123' ' ' VAL . 1.7 t -117.94 20.14 13.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' GLY . . . . . 0.647 ' CA ' ' CD2' ' A' ' 158' ' ' PHE . . . -137.13 -134.42 3.27 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -11.78 59.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 0.812 . . . . 0.0 110.309 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.789 ' HE1' HD22 ' A' ' 151' ' ' LEU . 0.0 OUTLIER -45.64 129.92 8.94 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 105' ' ' TRP . 1.6 p -158.41 174.63 14.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.429 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.507 ' HB2' ' CD2' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -90.94 129.4 36.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 110.339 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.603 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -117.94 125.68 50.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.851 HD11 ' HB ' ' A' ' 160' ' ' VAL . 0.7 OUTLIER -95.08 141.62 28.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 122' ' ' ASP . 0.7 OUTLIER -160.0 150.08 18.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -100.7 136.95 39.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.227 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.15 57.28 1.06 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -61.77 122.22 14.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.41 38.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.964 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 116' ' ' ARG . . . 73.6 -56.57 2.08 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 115' ' ' GLY . 0.2 OUTLIER -37.87 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 0.773 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.7 t -126.66 74.12 1.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.965 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -101.64 126.36 48.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 148.46 -63.26 0.42 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.58 151.46 21.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 0.777 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.764 ' HB2' HD21 ' A' ' 109' ' ' LEU . 17.8 m-85 -80.28 -167.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.576 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 0.3 OUTLIER -147.74 152.02 37.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.769 HG23 HG12 ' A' ' 160' ' ' VAL . 1.2 t -102.46 147.23 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.855 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -132.54 122.39 24.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.967 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.507 ' CD2' ' HB2' ' A' ' 107' ' ' ARG . 50.0 mt -97.44 113.19 24.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.632 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 2.6 mt -92.01 119.98 40.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 109.219 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.586 ' HB2' ' HD2' ' A' ' 128' ' ' PRO . 4.1 p-10 -70.7 176.47 1.94 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.586 ' HD2' ' HB2' ' A' ' 127' ' ' ASN . 17.8 Cg_endo -75.05 53.1 3.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.541 1.811 . . . . 0.0 110.968 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.435 ' HB2' ' OD1' ' A' ' 127' ' ' ASN . 25.1 mt-30 -153.26 -44.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 141.88 -15.28 2.62 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.65 ' CD ' ' CE1' ' A' ' 142' ' ' TYR . 0.0 OUTLIER -72.68 138.28 46.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.855 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -104.46 147.89 27.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 127' ' ' ASN . 25.5 m-85 -118.77 125.73 50.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 111.047 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.479 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 17.1 mtp180 -99.25 -7.61 26.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.525 ' HB2' HG12 ' A' ' 137' ' ' VAL . 36.5 p -141.38 147.22 37.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.973 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.665 ' CD ' ' CE2' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -63.46 -29.46 70.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' A' ' 135' ' ' SER . 0.5 OUTLIER -60.46 -48.16 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.57 -22.87 62.36 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.547 1.155 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.638 ' HG ' ' CE2' ' A' ' 143' ' ' PHE . 12.0 tp -60.3 -50.5 73.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.229 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.703 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -70.67 -42.49 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -46.58 -48.54 19.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.382 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' TYR . . . . . 0.65 ' CE1' ' CD ' ' A' ' 131' ' ' LYS . 0.3 OUTLIER -83.88 -28.3 28.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.699 ' HB2' ' HA ' ' A' ' 140' ' ' ILE . 6.6 m-30 -79.61 -21.43 44.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.142 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' GLU . . . . . 0.703 ' N ' ' O ' ' A' ' 140' ' ' ILE . 1.0 OUTLIER -57.15 -28.5 62.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 0.0 110.305 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 146' ' ' VAL . 0.4 OUTLIER -94.1 -48.85 6.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.666 HG12 ' HA ' ' A' ' 143' ' ' PHE . 7.5 p -84.64 12.06 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.687 ' N ' ' O ' ' A' ' 143' ' ' PHE . . . 37.58 38.7 0.47 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ASP . . . . . 0.589 ' HB2' ' CD2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER 56.92 163.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 0.726 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 149' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 149' ' ' THR . 0.3 OUTLIER -160.17 103.98 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.42 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 149' ' ' THR . 1.4 t 85.9 -56.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.789 HD22 ' HE1' ' A' ' 105' ' ' TRP . 0.3 OUTLIER -107.59 137.67 45.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ASP . . . . . 0.479 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . 0.4 OUTLIER -126.28 177.07 2.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 153' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 152' ' ' ASP . 18.3 Cg_endo -74.96 -5.08 16.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.787 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -104.26 -7.51 20.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -147.24 42.0 1.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.665 ' CE2' ' CD ' ' A' ' 136' ' ' LYS . 7.0 p90 -77.22 -169.8 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.498 ' HB3' ' CD2' ' A' ' 125' ' ' LEU . 10.0 t0 -107.54 -99.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.749 ' HA ' HG11 ' A' ' 123' ' ' VAL . 68.4 m-85 57.24 104.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' THR . . . . . 0.719 ' OG1' ' N ' ' A' ' 160' ' ' VAL . 1.2 p -112.08 -82.78 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.851 ' HB ' HD11 ' A' ' 109' ' ' LEU . 14.7 p -50.5 -39.98 18.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.473 ' HB ' ' H ' ' A' ' 123' ' ' VAL . 15.4 t -95.41 -22.95 17.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' GLY . . . . . 0.534 ' HA3' ' O ' ' A' ' 158' ' ' PHE . . . -75.13 -3.57 69.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.67 -9.65 59.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 128' ' ' PRO . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.613 ' CH2' ' CG ' ' A' ' 157' ' ' ASP . 0.0 OUTLIER -179.03 111.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.508 ' N ' ' CE3' ' A' ' 105' ' ' TRP . 6.9 t -152.54 146.54 25.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.612 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 5.5 ptp180 -94.75 128.26 41.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.611 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -111.71 122.76 48.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.829 HD21 ' HB2' ' A' ' 121' ' ' TYR . 2.2 tt -97.88 143.17 28.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.425 1.078 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.554 ' N ' HD23 ' A' ' 109' ' ' LEU . 4.0 mtpt -152.01 -174.67 4.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -93.58 128.64 39.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.327 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -60.23 2.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.9 156.6 45.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.92 39.56 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.954 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 116' ' ' ARG . . . 174.94 -73.4 0.08 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.606 1.191 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 115' ' ' GLY . 0.2 OUTLIER -38.94 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 0.784 . . . . 0.0 110.252 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 118' ' ' ALA . 47.8 t -127.87 39.53 3.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.977 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 117' ' ' SER . . . -39.91 139.0 0.71 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.2 -109.84 0.25 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.76 148.09 27.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.829 ' HB2' HD21 ' A' ' 109' ' ' LEU . 40.0 m-85 -53.22 -171.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.562 ' O ' ' HA ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -139.28 153.53 47.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.977 HG21 ' OG1' ' A' ' 159' ' ' THR . 1.0 OUTLIER -111.38 150.19 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.799 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -129.82 122.25 28.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 111.033 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.809 HD13 ' OD2' ' A' ' 157' ' ' ASP . 66.0 mt -92.84 113.01 25.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.542 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 4.5 mt -94.37 123.39 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.545 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 1.0 OUTLIER -77.07 -179.97 1.4 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 127' ' ' ASN . 18.4 Cg_endo -75.02 1.51 7.67 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.564 1.823 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.41 -12.35 16.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.247 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 98.76 15.1 35.09 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.1 OUTLIER -93.94 124.69 38.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.799 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -94.25 140.85 29.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.842 ' CE1' ' CD2' ' A' ' 142' ' ' TYR . 6.3 m-85 -116.52 125.62 52.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.531 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 8.2 mtm180 -98.32 -9.43 25.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.204 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.4 t -142.5 148.1 37.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.974 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.579 ' HG3' ' CD1' ' A' ' 156' ' ' PHE . 1.2 tttm -63.94 -30.88 71.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 1.9 p -59.55 -46.49 92.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.599 ' O ' ' CD2' ' A' ' 142' ' ' TYR . 0.1 OUTLIER -62.63 -22.76 66.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.724 HD23 ' HA ' ' A' ' 153' ' ' PRO . 14.3 tp -58.23 -49.31 77.54 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.714 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -63.99 -48.0 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -48.98 -48.23 43.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' TYR . . . . . 0.842 ' CD2' ' CE1' ' A' ' 133' ' ' PHE . 35.5 m-85 -78.89 -29.21 44.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.742 ' O ' ' N ' ' A' ' 147' ' ' GLY . 5.5 m-30 -81.24 -22.91 38.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' GLU . . . . . 0.714 ' N ' ' O ' ' A' ' 140' ' ' ILE . 1.1 tm-20 -55.37 -29.02 57.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.499 ' CG ' ' N ' ' A' ' 146' ' ' VAL . 0.0 OUTLIER -89.82 -51.93 5.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.203 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.499 ' N ' ' CG ' ' A' ' 145' ' ' LYS . 12.3 p -84.61 12.46 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.742 ' N ' ' O ' ' A' ' 143' ' ' PHE . . . 37.7 32.46 0.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ASP . . . . . 0.599 ' HB2' ' CD2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER 64.82 157.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.77 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 149' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 149' ' ' THR . 0.3 OUTLIER -156.48 105.96 2.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.439 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 149' ' ' THR . 0.1 OUTLIER 82.52 -71.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.415 HD23 ' H ' ' A' ' 151' ' ' LEU . 0.6 OUTLIER -82.26 128.72 34.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 155' ' ' ASP . 11.0 p30 -102.13 156.41 35.27 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' PRO . . . . . 0.724 ' HA ' HD23 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -74.94 -15.97 20.6 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.609 1.847 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -80.63 -12.46 59.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ASP . . . . . 0.464 ' N ' ' OD2' ' A' ' 152' ' ' ASP . 0.3 OUTLIER -151.74 30.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.671 ' CZ ' ' HB3' ' A' ' 158' ' ' PHE . 5.7 p90 -48.85 146.94 2.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.809 ' OD2' HD13 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -61.94 79.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.944 ' O ' ' CD1' ' A' ' 158' ' ' PHE . 0.1 OUTLIER -95.8 114.67 26.43 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 159' ' ' THR . . . . . 0.977 ' OG1' HG21 ' A' ' 123' ' ' VAL . 1.1 p -108.6 -112.73 0.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.726 HG11 ' HG ' ' A' ' 109' ' ' LEU . 10.3 p -51.96 -38.19 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.47 ' HB ' ' H ' ' A' ' 123' ' ' VAL . 8.7 t -93.53 13.85 20.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 0.0 110.419 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 162' ' ' GLY . . . . . 0.622 ' CA ' ' CD2' ' A' ' 158' ' ' PHE . . . -115.18 -98.85 2.21 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -25.03 51.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 160' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TRP . . . . . 0.719 ' CE2' HD12 ' A' ' 151' ' ' LEU . 2.2 t90 -78.24 140.03 38.9 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 105' ' ' TRP . 21.7 p -158.88 143.09 15.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.523 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -93.94 124.79 38.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.64 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -114.27 122.33 46.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.941 HD21 ' CB ' ' A' ' 121' ' ' TYR . 5.8 tt -96.64 143.93 27.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.704 ' N ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -159.62 150.42 19.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -100.92 136.66 40.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -40.66 -47.17 2.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 114' ' ' SER . 0.4 OUTLIER 62.72 135.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.183 . . . . 0.0 109.24 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 0.5 OUTLIER 160.65 -32.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.043 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 102.24 -43.16 1.75 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.455 1.097 . . . . 0.0 111.051 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -38.53 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 110.324 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.4 t -126.98 70.18 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -96.24 138.38 33.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 173.73 -56.4 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -97.56 153.59 18.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.979 ' HB2' HG21 ' A' ' 160' ' ' VAL . 0.9 OUTLIER -103.61 -166.03 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.404 1.065 . . . . 0.0 111.027 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.631 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 1.3 t70 -148.71 143.68 26.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.785 HG21 ' OG1' ' A' ' 159' ' ' THR . 1.1 t -103.25 135.99 38.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.756 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -115.8 124.76 51.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.704 HD12 ' CE2' ' A' ' 158' ' ' PHE . 50.5 mt -95.28 114.02 25.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ILE . . . . . 0.751 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 4.9 mt -90.6 118.55 36.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASN . . . . . 0.744 ' HB2' ' CD ' ' A' ' 128' ' ' PRO . 4.5 p30 -88.87 -170.16 0.24 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.768 ' O ' ' CB ' ' A' ' 129' ' ' GLN . 18.3 Cg_endo -74.95 123.67 8.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.768 ' CB ' ' O ' ' A' ' 128' ' ' PRO . 24.0 mt-30 117.93 -12.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 110.222 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 100.4 12.35 38.91 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.396 1.06 . . . . 0.0 111.068 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LYS . . . . . 0.751 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 1.8 ttmt -79.11 145.66 33.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 0.796 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.756 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -121.26 152.77 38.5 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 138' ' ' GLU . 13.2 m-85 -128.05 125.48 39.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ARG . . . . . 0.511 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 2.6 mtp-105 -102.34 1.15 35.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' SER . . . . . 0.479 ' HB3' HG12 ' A' ' 137' ' ' VAL . 0.4 OUTLIER -141.79 147.83 37.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.058 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 158' ' ' PHE . 12.9 ttpt -68.73 -21.01 64.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.479 HG12 ' HB3' ' A' ' 135' ' ' SER . 2.4 p -66.22 -44.91 91.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.57 ' HB3' ' CD1' ' A' ' 133' ' ' PHE . 2.5 tp10 -60.67 -24.01 65.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.322 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 143' ' ' PHE . 10.9 tp -62.39 -49.02 77.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ILE . . . . . 0.771 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -62.37 -44.66 99.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -42.7 -50.52 5.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' TYR . . . . . 0.963 ' CD2' HG11 ' A' ' 146' ' ' VAL . 0.2 OUTLIER -89.02 -28.6 20.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.702 ' HB3' ' HA ' ' A' ' 140' ' ' ILE . 45.9 t80 -78.3 -20.59 51.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' GLU . . . . . 0.771 ' N ' ' O ' ' A' ' 140' ' ' ILE . 4.9 tm-20 -49.89 -50.59 45.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' LYS . . . . . 0.594 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 0.0 OUTLIER 170.23 49.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 146' ' ' VAL . . . . . 0.963 HG11 ' CD2' ' A' ' 142' ' ' TYR . 1.3 p -96.5 -10.98 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 110.44 48.32 0.76 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.147 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ASP . . . . . 0.546 ' OD2' HG12 ' A' ' 146' ' ' VAL . 44.3 m-20 -129.59 115.97 18.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 0.805 . . . . 0.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 149' ' ' THR . 0.6 OUTLIER -126.43 105.58 8.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.454 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 149' ' ' THR . 3.8 t 161.85 -66.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.127 . . . . 0.0 110.015 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' LEU . . . . . 0.886 HD11 ' OD1' ' A' ' 157' ' ' ASP . 2.2 mt -84.5 139.54 32.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ASP . . . . . 0.518 ' HA ' ' CE1' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -127.96 154.87 78.37 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -6.05 17.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.791 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' A' ' 155' ' ' ASP . 14.7 t30 -97.09 -10.27 26.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 154' ' ' ASN . 0.8 OUTLIER -154.02 44.15 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.264 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.595 ' HA ' HD22 ' A' ' 151' ' ' LEU . 7.6 p90 -54.96 -169.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.886 ' OD1' HD11 ' A' ' 151' ' ' LEU . 58.4 m-20 -112.7 -14.01 13.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.704 ' CE2' HD12 ' A' ' 125' ' ' LEU . 70.0 m-85 -44.24 117.56 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' THR . . . . . 0.785 ' OG1' HG21 ' A' ' 123' ' ' VAL . 61.8 p -110.08 -86.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.979 HG21 ' HB2' ' A' ' 121' ' ' TYR . 6.2 p -50.22 -27.22 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.067 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 161' ' ' THR . . . . . 0.573 HG21 ' O ' ' A' ' 123' ' ' VAL . 7.3 t -120.38 21.52 11.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' GLY . . . . . 0.496 ' HA3' ' O ' ' A' ' 158' ' ' PHE . . . -138.19 -77.42 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.427 1.079 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.0 -11.06 59.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 0.769 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -177.93 3.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.13 156.17 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.601 HG23 ' HD2' ' A' ' 76' ' ' PRO . 2.8 p -171.65 140.46 1.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.601 ' HD2' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -75.02 -47.84 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.455 1.766 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.36 -179.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 55.19 65.26 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.8 t -169.93 88.12 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' SER . . . -158.94 149.03 19.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER 37.8 74.35 0.64 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 64.16 6.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm 66.24 152.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -128.42 -44.98 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 66.38 30.46 8.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -94.67 141.19 28.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.54 169.71 23.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.1 mp -94.2 91.16 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 90' ' ' ARG . 1.5 pp -61.33 174.34 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.434 ' O ' HD12 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -98.54 171.85 7.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -57.95 109.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 39.27 55.55 2.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 58.58 162.67 0.06 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 169.62 22.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.538 1.81 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 2.1 mtt -97.23 -23.84 15.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -70.26 -166.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -69.49 -153.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.501 ' N ' ' CD ' ' A' ' 99' ' ' PRO . 0.1 OUTLIER 163.59 -52.19 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 98' ' ' ASP . 18.3 Cg_endo -75.03 82.36 2.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.494 1.787 . . . . 0.0 111.042 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 77.4 p -121.72 -136.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.634 HD13 ' H ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -94.71 158.26 35.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 84.02 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.07 -49.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 165.94 -127.93 1.69 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.934 ' CH2' HD21 ' A' ' 151' ' ' LEU . 2.0 t90 63.96 125.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.605 ' O ' HD12 ' A' ' 126' ' ' ILE . 1.7 m -159.02 149.91 19.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 107' ' ' ARG . 1.3 ttp85 -94.71 126.6 40.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.769 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -115.69 136.0 53.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.945 HD21 ' CB ' ' A' ' 121' ' ' TYR . 6.4 tt -112.63 143.74 43.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.088 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.885 ' N ' HD23 ' A' ' 109' ' ' LEU . 2.8 mmtt -151.42 -179.76 7.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -85.42 136.33 33.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -93.67 40.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 114' ' ' SER . 0.9 OUTLIER -43.9 165.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 1.1 t 86.0 46.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.098 . . . . 0.0 110.054 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 117' ' ' SER . . . -145.55 51.45 0.6 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.515 1.135 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 65.52 -73.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 110.27 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 115' ' ' GLY . 42.5 t -127.35 23.33 6.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 39.63 -154.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 166.41 -109.1 0.34 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -76.9 152.86 35.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.945 ' CB ' HD21 ' A' ' 109' ' ' LEU . 12.5 m-85 -70.07 -159.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.646 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 0.3 OUTLIER -148.11 141.39 25.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.879 HG21 ' OG1' ' A' ' 159' ' ' THR . 1.2 t -97.6 148.46 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.819 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -131.21 123.96 29.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.037 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' ' 157' ' ' ASP . 81.6 mt -98.67 113.92 26.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.652 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 2.9 mt -92.47 122.78 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.468 ' ND2' ' HD2' ' A' ' 128' ' ' PRO . 0.5 OUTLIER -72.32 175.22 3.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.623 ' HD3' ' CE3' ' A' ' 105' ' ' TRP . 18.2 Cg_endo -74.99 62.08 5.78 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.411 ' HG2' ' H ' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -169.86 -38.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 137.74 -7.46 3.58 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.652 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -72.23 127.49 32.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.819 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -101.72 147.14 26.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.459 ' CD2' ' O ' ' A' ' 125' ' ' LEU . 31.1 m-85 -116.35 123.94 48.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.6 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 4.7 mtm180 -109.66 -4.7 15.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.553 ' HB3' HG12 ' A' ' 137' ' ' VAL . 72.7 m -141.28 146.56 36.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -63.23 -19.74 64.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.553 HG12 ' HB3' ' A' ' 135' ' ' SER . 0.2 OUTLIER -70.29 -50.34 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -59.87 -23.19 63.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.863 HD11 ' CZ ' ' A' ' 143' ' ' PHE . 11.4 tp -61.84 -50.13 73.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.756 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.2 OUTLIER -61.08 -46.12 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -41.6 -49.52 4.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.787 ' O ' HG12 ' A' ' 146' ' ' VAL . 2.0 m-85 -89.77 -31.55 17.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.863 ' CZ ' HD11 ' A' ' 139' ' ' LEU . 3.3 m-85 -75.72 -19.29 59.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.756 ' N ' ' O ' ' A' ' 140' ' ' ILE . 0.8 OUTLIER -47.04 -50.18 19.93 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.538 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 3.5 ptmt 177.61 57.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 142' ' ' TYR . 0.8 OUTLIER -109.63 -10.22 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 142.43 -70.59 0.42 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ASP . . . . . 0.437 ' OD1' ' HA ' ' A' ' 143' ' ' PHE . 70.7 m-20 58.51 161.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.676 HG22 ' N ' ' A' ' 150' ' ' SER . 0.7 OUTLIER -106.23 -69.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.676 ' N ' HG22 ' A' ' 149' ' ' THR . 46.4 t -169.16 51.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.934 HD21 ' CH2' ' A' ' 105' ' ' TRP . 0.5 OUTLIER -141.33 132.94 27.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.508 ' OD1' ' CB ' ' A' ' 154' ' ' ASN . 2.4 p-10 -103.84 166.36 11.82 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 152' ' ' ASP . 18.3 Cg_endo -74.99 -19.68 17.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.508 ' CB ' ' OD1' ' A' ' 152' ' ' ASP . 7.9 t30 -72.74 -8.65 56.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.441 ' N ' ' OD2' ' A' ' 152' ' ' ASP . 6.8 t70 -153.55 50.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' A' ' 158' ' ' PHE . 2.9 p90 -48.87 -177.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.59 ' OD1' HD13 ' A' ' 151' ' ' LEU . 9.7 m-20 -104.77 -9.11 18.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.675 ' HA ' HG11 ' A' ' 123' ' ' VAL . 5.7 m-30 -46.44 124.22 5.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' THR . . . . . 0.879 ' OG1' HG21 ' A' ' 123' ' ' VAL . 72.5 p -110.51 -85.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.941 HG21 ' HB2' ' A' ' 121' ' ' TYR . 6.1 p -51.9 -27.52 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.5 ' HB ' ' H ' ' A' ' 123' ' ' VAL . 9.3 t -119.08 20.46 12.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' GLY . . . . . 0.513 ' HA3' ' O ' ' A' ' 158' ' ' PHE . . . -131.84 -76.2 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.21 -10.51 59.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.22 -105.56 3.29 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.45 119.63 69.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.796 . . . . 0.0 110.027 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -48.89 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 5.3 t -45.87 -70.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.957 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.62 -160.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.23 179.4 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 110.354 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 75.4 120.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -146.37 153.83 40.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -138.47 149.18 61.92 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 174' ' ' PRO . 18.5 Cg_endo -74.93 154.88 43.16 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.498 1.788 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 173' ' ' PRO . 18.2 Cg_endo -75.04 -162.24 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.36 92.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.59 154.1 18.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -109.62 -174.85 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.34 165.49 23.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 63.5 p -172.1 115.11 0.4 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 157.83 42.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.445 1.761 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.16 113.97 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.0 95.07 0.21 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.024 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -52.35 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 185' ' ' SER . . . 149.83 -127.84 2.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.569 1.168 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 184' ' ' GLY . 1.4 t 84.73 87.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.97 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -157.06 158.48 28.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.68 173.43 6.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 151.56 118.36 0.8 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.11 -67.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.787 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . 103.61 168.04 25.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.8 164.71 30.71 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 110.249 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 192' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 119.86 5.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.08 122.84 17.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . -92.92 -89.19 1.56 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.466 1.103 . . . . 0.0 111.027 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 36.5 m -101.65 97.96 8.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.0 110.931 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 176.48 9.85 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.68 115.73 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -164.51 115.73 0.94 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -65.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.476 1.777 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 47.59 78.08 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.163 . . . . 0.0 110.265 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -139.85 156.08 46.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.18 82.34 0.36 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -140.44 175.42 9.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.36 168.95 15.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 158.83 41.86 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -124.67 158.15 33.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 58.95 154.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.79 23.22 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.49 124.49 22.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.89 -162.73 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.034 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.95 -74.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.451 ' CG1' ' H ' ' A' ' 90' ' ' ARG . 0.6 OUTLIER -149.2 -163.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.451 ' H ' ' CG1' ' A' ' 89' ' ' ILE . 3.5 tmm_? -143.78 -58.81 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.86 142.37 4.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -114.97 92.3 3.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -150.98 72.98 0.28 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 138.83 23.66 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.76 178.78 7.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -143.48 30.66 1.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 98' ' ' ASP . 15.3 m-20 -151.46 174.25 13.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 97' ' ' ASP . 16.8 t0 38.98 73.86 0.74 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.431 1.082 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.415 ' C ' HG22 ' A' ' 100' ' ' THR . 18.4 Cg_endo -74.96 74.24 4.04 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.486 1.782 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.537 ' O ' ' C ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER 179.21 110.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.413 1.071 . . . . 0.0 110.451 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.924 HD21 ' O ' ' A' ' 128' ' ' PRO . 1.9 mt 29.2 60.89 0.78 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.414 1.071 . . . . 0.0 109.316 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.491 ' HD3' ' N ' ' A' ' 101' ' ' LEU . 18.1 Cg_endo -75.01 3.81 5.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.469 1.773 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.413 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER 169.24 -36.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.463 ' O ' ' CB ' ' A' ' 105' ' ' TRP . . . -167.27 -59.77 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.057 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.609 ' C ' ' CD1' ' A' ' 105' ' ' TRP . 0.0 OUTLIER 164.66 124.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.483 HG22 ' H ' ' A' ' 107' ' ' ARG . 11.4 m -153.5 173.75 15.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.548 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -91.49 128.9 37.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.713 ' HZ1' HD12 ' A' ' 126' ' ' ILE . 0.0 OUTLIER -111.15 125.87 54.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.926 HD21 ' CB ' ' A' ' 121' ' ' TYR . 6.3 tt -102.78 143.27 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.801 ' N ' HD23 ' A' ' 109' ' ' LEU . 2.3 mtpt -153.04 171.96 17.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.463 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 1.8 mt-30 -87.11 130.98 34.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.26 8.82 40.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.486 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 6.9 ttpt -41.6 -78.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER 39.08 29.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.03 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 113' ' ' LYS . . . -148.38 -91.08 0.09 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.25 -70.32 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 0.729 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 118' ' ' ALA . 47.0 t -128.77 48.95 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.486 ' HB2' ' HA ' ' A' ' 113' ' ' LYS . . . -37.09 -88.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 173.05 -101.68 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.592 1.183 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 121' ' ' TYR . 0.2 OUTLIER -103.11 155.97 18.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 0.724 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.926 ' CB ' HD21 ' A' ' 109' ' ' LEU . 8.1 m-85 -55.94 -155.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.559 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 0.3 OUTLIER -148.76 150.15 32.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 1.013 HG21 ' OG1' ' A' ' 159' ' ' THR . 1.2 t -108.54 148.97 12.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.763 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -133.66 123.02 24.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 110.981 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.56 HD21 ' OD1' ' A' ' 157' ' ' ASP . 55.3 mt -96.51 114.12 25.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.713 HD12 ' HZ1' ' A' ' 108' ' ' LYS . 10.0 mt -95.85 119.93 44.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.519 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 1.0 OUTLIER -70.71 179.25 0.91 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.924 ' O ' HD21 ' A' ' 101' ' ' LEU . 18.3 Cg_endo -74.99 2.99 6.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.556 1.819 . . . . 0.0 110.976 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.739 ' O ' HD11 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -104.03 -22.51 13.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 111.37 10.02 20.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.595 1.185 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.584 ' HG2' ' CE1' ' A' ' 133' ' ' PHE . 1.1 ttmt -90.01 124.35 34.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.763 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -94.65 139.24 31.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.584 ' CE1' ' HG2' ' A' ' 131' ' ' LYS . 26.8 m-85 -113.93 125.53 54.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 1.6 mtm180 -99.13 -7.61 26.39 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.48 ' HB3' ' CG1' ' A' ' 137' ' ' VAL . 0.4 OUTLIER -141.58 147.74 38.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.049 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.663 ' CD ' ' CE2' ' A' ' 156' ' ' PHE . 12.0 ttpt -66.51 -21.75 66.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.087 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' A' ' 135' ' ' SER . 2.3 p -67.04 -46.86 83.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -24.27 65.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.924 HD11 HD21 ' A' ' 151' ' ' LEU . 11.9 tp -60.36 -48.77 80.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.774 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -61.77 -44.79 99.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -44.56 -49.89 9.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.855 ' O ' HG12 ' A' ' 146' ' ' VAL . 0.1 OUTLIER -86.39 -28.97 23.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.685 ' HB3' ' HA ' ' A' ' 140' ' ' ILE . 45.0 t80 -79.16 -21.28 46.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.774 ' N ' ' O ' ' A' ' 140' ' ' ILE . 0.8 OUTLIER -49.52 -45.4 47.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.358 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.609 ' O ' ' CG ' ' A' ' 145' ' ' LYS . 4.1 ttpt 162.08 66.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.855 HG12 ' O ' ' A' ' 142' ' ' TYR . 9.8 p -102.21 -8.03 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.12 3.4 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ASP . . . . . 0.455 ' OD1' ' ND2' ' A' ' 127' ' ' ASN . 48.5 m-20 -138.41 124.74 20.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.791 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 149' ' ' THR . 0.6 OUTLIER -131.48 108.44 9.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.9 t 169.78 -46.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.993 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.924 HD21 HD11 ' A' ' 139' ' ' LEU . 0.2 OUTLIER -100.75 110.46 22.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -107.45 178.74 1.01 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.616 ' O ' ' CD1' ' A' ' 156' ' ' PHE . 18.5 Cg_endo -74.96 -22.65 14.69 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -95.42 -13.23 24.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -100.25 -13.05 19.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.663 ' CE2' ' CD ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -52.28 142.64 16.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.979 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.56 ' OD1' HD21 ' A' ' 125' ' ' LEU . 1.2 p30 -85.94 -66.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.677 ' CD2' HG23 ' A' ' 161' ' ' THR . 0.6 OUTLIER 50.39 114.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 159' ' ' THR . . . . . 1.013 ' OG1' HG21 ' A' ' 123' ' ' VAL . 0.1 OUTLIER -104.74 -96.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.396 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.989 HG12 HG23 ' A' ' 123' ' ' VAL . 13.7 p -49.86 -19.21 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.677 HG23 ' CD2' ' A' ' 158' ' ' PHE . 2.2 t -117.75 19.93 13.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' GLY . . . . . 0.495 ' HA3' ' HB3' ' A' ' 158' ' ' PHE . . . -127.4 -80.5 0.31 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.122 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -10.94 59.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 106.0 -84.89 0.42 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 67.1 m -100.51 141.84 23.46 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.512 0.772 . . . . 0.0 110.022 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -78.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.524 1.802 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.42 168.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.017 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 168' ' ' ARG . 1.7 ttm180 -176.27 58.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.62 172.11 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 110.25 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -175.37 107.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.19 154.37 50.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.35 87.19 0.23 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 149.75 37.12 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.479 1.779 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -164.34 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.423 1.749 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.19 -175.44 4.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.97 -73.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . 62.97 128.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -155.75 114.02 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 33.0 t -129.02 111.69 18.46 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.034 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -178.27 4.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.442 1.759 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.27 177.23 3.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 1.2 m -143.15 143.44 24.7 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.443 1.089 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -77.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.54 1.811 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 112.84 175.64 19.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.39 170.1 3.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 0.0 109.971 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -153.47 -151.91 5.87 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.422 1.076 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.99 169.87 18.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 0.799 . . . . 0.0 110.324 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -157.61 117.55 0.78 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 189' ' ' ARG . . . . . 0.451 ' CG ' ' N ' ' A' ' 190' ' ' GLY . 0.8 OUTLIER -117.98 -148.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 0.0 110.258 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 190' ' ' GLY . . . . . 0.451 ' N ' ' CG ' ' A' ' 189' ' ' ARG . . . -164.27 -117.5 0.41 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -150.88 137.86 11.67 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.448 0.734 . . . . 0.0 110.36 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 192' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.92 -179.04 4.57 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.16 -69.16 0.73 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 194' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 195' ' ' SER . . . 84.06 -143.65 21.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 195' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 194' ' ' GLY . 1.5 p 85.97 122.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.536 0.786 . . . . 0.0 109.999 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -60.04 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.22 176.71 2.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 75' ' ' VAL . 2.0 p -147.1 68.31 11.32 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 176.82 9.42 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.541 1.811 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.33 75.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.351 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.84 124.1 50.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.2 p -106.56 -58.65 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.954 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 64.14 169.41 0.17 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.9 p -157.97 90.76 2.26 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.063 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 132.87 15.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' GLN . 12.9 mmtt -92.62 148.76 21.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 83' ' ' LYS . 12.6 mp0 -38.86 150.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.09 41.85 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -102.0 105.38 16.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.14 35.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.582 HG22 ' O ' ' A' ' 88' ' ' ILE . 3.1 mt -105.32 60.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.74 HG23 ' H ' ' A' ' 90' ' ' ARG . 2.5 tt -44.88 -84.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.74 ' H ' HG23 ' A' ' 89' ' ' ILE . 0.2 OUTLIER 55.1 -158.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.31 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -148.34 109.35 4.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 93' ' ' GLY . 0.0 OUTLIER -84.41 86.74 7.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.441 1.088 . . . . 0.0 110.28 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 92' ' ' ARG . . . 54.34 166.61 0.03 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.554 1.159 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 89.4 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -109.56 -43.7 4.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -113.24 -170.73 1.74 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.447 ' OD2' ' N ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -103.95 -164.06 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.558 ' CB ' ' HD3' ' A' ' 99' ' ' PRO . 0.1 OUTLIER 172.41 -55.19 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.576 ' C ' HG22 ' A' ' 100' ' ' THR . 18.4 Cg_endo -74.98 55.16 3.85 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.467 1.772 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.576 HG22 ' C ' ' A' ' 99' ' ' PRO . 0.0 OUTLIER 168.8 134.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.707 HD23 ' CH2' ' A' ' 105' ' ' TRP . 1.3 mm? -36.33 97.29 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.472 ' N ' ' O ' ' A' ' 100' ' ' THR . 18.1 Cg_endo -75.0 -2.06 12.04 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.521 1.801 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -114.88 62.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.41 -74.89 0.25 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.707 ' CH2' HD23 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -106.01 100.02 9.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.766 ' O ' HD12 ' A' ' 126' ' ' ILE . 0.7 OUTLIER -157.02 159.69 38.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.353 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.605 ' CB ' HD23 ' A' ' 125' ' ' LEU . 5.4 ppt_? -96.53 121.31 38.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.774 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -110.33 154.68 23.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.902 HD11 ' HB ' ' A' ' 160' ' ' VAL . 3.0 tt -116.12 141.61 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 122' ' ' ASP . 0.5 OUTLIER -162.3 147.28 12.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.488 ' CB ' ' HA ' ' A' ' 121' ' ' TYR . 18.3 pt20 -99.06 137.02 38.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.26 -81.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 176.35 74.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.5 77.4 4.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 132.6 -167.24 23.21 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.448 1.093 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -48.88 -87.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 118' ' ' ALA . 39.4 t -103.75 13.51 32.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 117' ' ' SER . . . 40.63 -131.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 129.46 -27.66 4.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.64 154.55 20.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.883 ' HB2' HD21 ' A' ' 109' ' ' LEU . 8.2 m-85 -66.11 -168.38 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.412 1.07 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.588 ' C ' HG11 ' A' ' 160' ' ' VAL . 0.3 OUTLIER -144.04 154.49 43.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 1.036 HG23 HG12 ' A' ' 160' ' ' VAL . 1.2 t -96.22 149.35 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.774 ' N ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -136.77 121.48 18.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.861 HD11 ' O ' ' A' ' 157' ' ' ASP . 45.1 mt -105.32 113.47 27.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.766 HD12 ' O ' ' A' ' 106' ' ' THR . 0.9 OUTLIER -96.68 131.36 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.209 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.638 ' OD1' ' CE2' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -87.07 -177.3 0.87 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.592 ' CD ' ' CB ' ' A' ' 127' ' ' ASN . 18.5 Cg_endo -74.91 49.28 2.18 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.526 1.803 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -143.08 -53.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 147.38 -21.81 1.53 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.563 1.165 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.602 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 6.1 tttp -71.06 143.79 50.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.644 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -112.5 140.29 47.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.638 ' CE2' ' OD1' ' A' ' 127' ' ' ASN . 16.1 m-85 -104.05 125.94 50.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.501 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 23.7 mtm180 -86.43 -13.84 45.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.553 1.158 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.473 ' HB3' ' CG1' ' A' ' 137' ' ' VAL . 0.9 OUTLIER -142.07 149.05 39.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.013 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.648 ' CE ' ' CZ ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -66.18 -27.09 67.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 135' ' ' SER . 2.3 p -59.11 -42.2 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -23.22 65.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.616 HD11 ' CD1' ' A' ' 151' ' ' LEU . 12.4 tp -58.26 -51.18 70.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.723 HD12 ' HG3' ' A' ' 153' ' ' PRO . 0.0 OUTLIER -62.25 -44.81 99.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -43.95 -48.84 8.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.915 ' O ' HG12 ' A' ' 146' ' ' VAL . 1.7 t80 -82.24 -35.28 28.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.719 ' O ' ' HA2' ' A' ' 147' ' ' GLY . 0.0 OUTLIER -72.13 -23.88 61.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.71 ' N ' ' O ' ' A' ' 140' ' ' ILE . 4.8 tm-20 -51.75 -20.99 2.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.406 1.066 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -124.77 -63.23 1.19 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.915 HG12 ' O ' ' A' ' 142' ' ' TYR . 10.8 p -80.27 2.98 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 109.242 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.719 ' HA2' ' O ' ' A' ' 143' ' ' PHE . . . 37.41 26.57 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 146' ' ' VAL . 73.5 m-20 33.16 90.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 149' ' ' THR . 0.6 OUTLIER -81.21 93.89 6.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.389 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.589 ' CB ' ' O ' ' A' ' 149' ' ' THR . 0.5 OUTLIER 151.85 -53.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.383 1.052 . . . . 0.0 109.987 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.616 ' CD1' HD11 ' A' ' 139' ' ' LEU . 1.0 OUTLIER -132.72 107.85 8.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.482 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . 0.2 OUTLIER -98.82 177.1 1.68 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.723 ' HG3' HD12 ' A' ' 140' ' ' ILE . 18.5 Cg_endo -75.07 -5.63 17.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 111.029 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -102.14 2.85 37.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -165.16 47.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.648 ' CZ ' ' CE ' ' A' ' 136' ' ' LYS . 47.6 p90 -95.01 168.22 10.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 111.061 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.861 ' O ' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -106.6 131.2 54.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.641 ' N ' ' CD1' ' A' ' 158' ' ' PHE . 0.2 OUTLIER -152.77 106.29 3.05 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 159' ' ' THR . . . . . 0.914 ' H ' HG21 ' A' ' 123' ' ' VAL . 0.8 OUTLIER -106.6 -96.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.401 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 1.036 HG12 HG23 ' A' ' 123' ' ' VAL . 12.6 p -46.92 -23.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.579 HG22 ' CG1' ' A' ' 123' ' ' VAL . 1.3 t -116.51 19.41 14.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' GLY . . . . . 0.435 ' HA3' ' CD2' ' A' ' 158' ' ' PHE . . . -138.89 -112.97 1.09 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.564 1.165 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ARG . . . . . 0.407 ' N ' ' HD2' ' A' ' 163' ' ' ARG . 15.7 mmm180 -77.28 -23.47 51.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 0.723 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -68.23 86.84 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.112 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 74.2 m -112.69 96.15 35.88 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.457 0.74 . . . . 0.0 109.911 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 167' ' ' SER . 18.1 Cg_endo -75.04 -38.95 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.447 1.762 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 167' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 166' ' ' PRO . 15.4 p -38.37 -58.24 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.042 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -97.12 173.5 7.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.251 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.94 165.06 21.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.15 157.36 15.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -104.16 115.63 30.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.603 1.189 . . . . 0.0 110.262 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -55.63 119.03 22.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 171.61 17.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -42.0 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 0.0 111.033 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 69.97 93.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -126.17 99.25 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -174.22 105.34 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.17 79.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 179' ' ' SER . . . . . 0.41 ' HA ' ' HD3' ' A' ' 180' ' ' PRO . 32.2 p -171.89 136.87 0.94 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 179' ' ' SER . 18.2 Cg_endo -74.96 -20.44 16.96 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.83 165.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' SER . . . . . 0.47 ' CB ' ' HD3' ' A' ' 183' ' ' PRO . 0.3 OUTLIER 168.42 -54.96 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.038 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 183' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 182' ' ' SER . 18.5 Cg_endo -74.94 152.39 41.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.46 1.768 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 137.27 171.98 12.37 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.58 162.65 2.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.6 0.824 . . . . 0.0 109.901 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -172.97 170.19 43.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.432 1.083 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -144.84 166.41 25.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 161.96 115.96 0.37 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.153 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -119.89 -65.53 1.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . 52.09 82.57 0.04 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.03 111.05 20.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.557 0.798 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 192' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -174.94 2.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.45 1.763 . . . . 0.0 110.938 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.74 146.77 47.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 194' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 195' ' ' SER . . . -51.04 -82.83 0.04 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.522 1.139 . . . . 0.0 111.03 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 195' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 194' ' ' GLY . 2.0 t 87.33 141.57 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 0.73 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 163.12 35.75 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.469 1.773 . . . . 0.0 110.922 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -167.04 144.34 4.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.536 HG22 ' HD2' ' A' ' 76' ' ' PRO . 4.2 p -143.53 140.98 18.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.536 ' HD2' HG22 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -75.01 179.8 5.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.507 1.793 . . . . 0.0 111.042 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -154.86 166.24 34.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -163.99 176.63 9.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.0 p -178.79 161.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -146.7 171.42 15.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.9 t -133.03 125.12 18.9 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.039 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 166.03 30.1 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -162.84 150.8 13.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -110.57 -45.36 3.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.255 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 66.66 35.11 5.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -105.87 129.6 54.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.38 112.12 4.8 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.415 1.072 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.4 mm -75.84 145.05 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.717 HG23 ' N ' ' A' ' 90' ' ' ARG . 0.7 OUTLIER -96.78 -146.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.717 ' N ' HG23 ' A' ' 89' ' ' ILE . 4.6 mtt-85 -151.8 163.15 39.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -178.83 158.3 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -148.04 139.44 23.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.235 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 163.43 97.84 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -45.04 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 173.77 129.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.449 ' CD2' ' N ' ' A' ' 97' ' ' ASP . 35.8 p90 -170.45 -47.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.449 ' N ' ' CD2' ' A' ' 96' ' ' TYR . 64.7 t0 -123.67 64.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -169.89 66.43 0.55 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -63.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.483 1.781 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.66 HG23 ' H ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -149.98 -62.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.397 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.66 ' H ' HG23 ' A' ' 100' ' ' THR . 0.0 OUTLIER -109.03 99.43 35.42 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 69.61 5.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 110.964 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -159.21 44.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 105' ' ' TRP . . . 124.72 -106.56 0.93 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.593 ' CD1' ' HB3' ' A' ' 128' ' ' PRO . 0.0 OUTLIER -35.51 102.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.461 HG22 HD12 ' A' ' 126' ' ' ILE . 1.2 t -155.31 154.07 31.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.41 1.069 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 1.1 tmm_? -94.6 130.2 41.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.325 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.636 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -117.22 128.78 55.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.392 1.057 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.866 HD21 ' HB2' ' A' ' 121' ' ' TYR . 0.8 OUTLIER -97.44 143.25 28.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 122' ' ' ASP . 0.6 OUTLIER -164.94 145.64 7.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.37 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -100.84 135.0 42.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.01 77.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -69.9 74.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.388 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.03 59.47 1.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -159.55 -167.09 19.71 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -55.01 -74.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 110.302 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.5 t -131.26 87.09 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.0 -147.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.386 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 124.05 -34.64 3.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.415 1.072 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -84.79 146.51 27.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.898 ' HB2' HG21 ' A' ' 160' ' ' VAL . 1.3 m-85 -85.98 -172.23 3.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.596 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 0.3 OUTLIER -147.52 151.44 36.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.586 1.178 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.837 HG23 HG12 ' A' ' 160' ' ' VAL . 1.2 t -102.12 147.42 8.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.774 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -133.65 121.8 22.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.783 HD21 ' HB3' ' A' ' 157' ' ' ASP . 59.4 mt -97.38 114.28 26.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.53 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 3.0 mt -92.84 124.05 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.61 1.193 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.836 ' HB2' ' HD2' ' A' ' 128' ' ' PRO . 53.2 p30 -78.93 176.5 3.64 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.836 ' HD2' ' HB2' ' A' ' 127' ' ' ASN . 18.4 Cg_endo -75.08 15.59 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.462 ' H ' ' C ' ' A' ' 127' ' ' ASN . 13.1 mt-30 -117.6 -11.41 10.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.224 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.484 ' N ' ' OD1' ' A' ' 127' ' ' ASN . . . 98.73 9.47 52.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 111.073 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.7 OUTLIER -91.29 127.62 36.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 0.805 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.774 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -95.35 141.76 28.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.869 ' CE1' ' CD2' ' A' ' 142' ' ' TYR . 8.2 m-30 -119.68 125.7 49.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 0.8 OUTLIER -99.82 1.28 42.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.23 145.7 35.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.048 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.51 ' HD2' ' CE2' ' A' ' 156' ' ' PHE . 0.7 OUTLIER -69.44 -34.64 74.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.54 -41.5 82.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.642 ' O ' ' CD2' ' A' ' 142' ' ' TYR . 0.5 OUTLIER -64.47 -22.46 66.97 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.759 HD11 HD11 ' A' ' 151' ' ' LEU . 13.4 tp -56.18 -49.18 74.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.5 OUTLIER -59.52 -47.85 89.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 138' ' ' GLU . . . -41.34 -50.54 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.075 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.869 ' CD2' ' CE1' ' A' ' 133' ' ' PHE . 29.5 m-85 -86.01 -42.71 13.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.401 1.063 . . . . 0.0 110.996 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.602 ' CE1' ' OD1' ' A' ' 152' ' ' ASP . 1.0 OUTLIER -59.36 -24.79 63.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 140' ' ' ILE . 2.5 tm-20 -52.0 -33.09 36.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 0.4 OUTLIER -178.05 62.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.656 ' HB ' ' O ' ' A' ' 142' ' ' TYR . 7.4 p -111.99 -12.6 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 148' ' ' ASP . . . 89.96 30.75 12.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ASP . . . . . 0.432 ' OD1' ' HA ' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -38.08 113.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.249 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.488 ' CG2' ' NE1' ' A' ' 105' ' ' TRP . 0.6 OUTLIER -93.31 2.53 56.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.455 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.4 t 168.34 -40.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 110.007 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.759 HD11 HD11 ' A' ' 139' ' ' LEU . 0.7 OUTLIER -71.95 97.15 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.602 ' OD1' ' CE1' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -129.29 172.24 7.47 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.641 ' O ' ' CE2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -75.05 -6.1 17.59 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -96.5 -17.26 20.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -133.57 19.45 3.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.641 ' CE2' ' O ' ' A' ' 153' ' ' PRO . 0.0 OUTLIER -53.58 -174.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.398 1.061 . . . . 0.0 110.965 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.783 ' HB3' HD21 ' A' ' 125' ' ' LEU . 10.3 t70 -124.4 -50.76 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.678 ' O ' ' CG ' ' A' ' 158' ' ' PHE . 2.0 p90 12.43 89.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' THR . . . . . 0.774 ' OG1' HG21 ' A' ' 123' ' ' VAL . 1.5 p -109.19 -87.48 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 110.398 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.898 HG21 ' HB2' ' A' ' 121' ' ' TYR . 9.9 p -47.12 -27.18 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.671 HG22 ' HB ' ' A' ' 123' ' ' VAL . 11.6 t -119.95 21.32 11.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' GLY . . . . . 0.568 ' HA3' ' CD2' ' A' ' 158' ' ' PHE . . . -141.14 -99.9 0.39 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ARG . . . . . 0.618 ' CD ' ' CE2' ' A' ' 158' ' ' PHE . 12.3 mmm180 -76.68 -24.12 53.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 0.727 . . . . 0.0 110.376 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 159' ' ' THR . . . -78.65 78.35 1.66 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.398 1.061 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 67.0 p -84.82 113.46 49.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 109.959 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 167' ' ' SER . 18.1 Cg_endo -75.02 -61.25 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.462 1.77 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 166' ' ' PRO . 2.2 t 84.88 -165.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.552 ' O ' ' CB ' ' A' ' 169' ' ' ARG . 0.0 OUTLIER 68.36 144.53 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 110.247 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ARG . . . . . 0.552 ' CB ' ' O ' ' A' ' 168' ' ' ARG . 0.0 OUTLIER 88.06 147.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.342 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 170' ' ' GLU . . . . . 0.449 ' N ' ' HD2' ' A' ' 169' ' ' ARG . 0.1 OUTLIER -154.88 153.69 31.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -142.68 126.03 16.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.04 95.28 0.28 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 155.75 42.96 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.445 1.76 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -178.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.52 113.5 0.36 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.352 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -154.43 162.17 41.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -162.41 126.33 3.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.42 165.64 11.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 96.3 p -170.79 82.52 0.54 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.953 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 162.57 36.86 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.501 1.79 . . . . 0.0 111.029 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.08 167.98 23.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.96 115.88 1.22 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -175.33 2.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.542 1.811 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -177.09 154.84 16.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 34.6 p 178.72 154.22 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -151.56 155.43 26.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.563 1.164 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 179.03 157.7 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.763 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -126.14 -117.0 2.11 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.438 1.086 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -122.68 -148.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.294 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . -179.8 -164.54 32.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.32 144.03 27.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 110.263 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 192' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -70.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -165.41 -56.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . 132.45 -114.85 1.51 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 58.4 p -146.85 102.98 3.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.723 . . . . 0.0 109.986 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.89 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.481 1.779 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -176.08 124.57 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.0 t -133.45 120.74 15.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 174.66 12.38 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.548 1.815 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -150.69 158.23 43.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -168.92 176.44 5.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.3 p -149.07 169.28 21.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -134.36 171.33 14.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.0 t -174.87 92.4 0.3 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.008 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 147.55 34.04 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.69 91.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 85' ' ' ARG . 0.1 OUTLIER -90.71 99.62 12.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 86' ' ' ARG . 0.1 OUTLIER -37.32 -46.02 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 85' ' ' ARG . 1.5 ttp180 32.78 86.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 110.215 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.7 t -129.28 79.79 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.006 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 37.1 mm -60.03 149.47 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.695 HG23 ' N ' ' A' ' 90' ' ' ARG . 0.6 OUTLIER -128.59 -149.6 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.695 ' N ' HG23 ' A' ' 89' ' ' ILE . 0.6 OUTLIER -165.29 112.0 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.343 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.56 138.07 48.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -142.27 152.33 42.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.248 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.82 154.59 20.54 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 116.07 4.48 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.563 1.823 . . . . 0.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.95 -177.72 6.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.08 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -54.03 -24.87 18.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -87.6 161.44 17.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.78 159.11 32.9 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -2.79 12.99 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . 1.023 HG21 ' CZ2' ' A' ' 105' ' ' TRP . 82.8 p -77.69 -132.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.602 1.189 . . . . 0.0 110.38 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -60.81 159.42 26.34 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -49.19 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -146.45 70.82 1.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.84 -58.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 1.023 ' CZ2' HG21 ' A' ' 100' ' ' THR . 0.1 OUTLIER -121.06 116.58 25.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.445 HG22 ' N ' ' A' ' 107' ' ' ARG . 18.1 m -159.42 167.24 29.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.489 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 4.4 ttp85 -95.39 130.03 42.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.642 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -116.83 127.54 54.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.938 HD21 ' CB ' ' A' ' 121' ' ' TYR . 7.0 tt -100.67 139.88 35.72 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.549 ' N ' HD23 ' A' ' 109' ' ' LEU . 14.5 pttt -149.46 139.78 22.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.403 ' HG2' ' N ' ' A' ' 112' ' ' ARG . 2.3 tm0? -101.23 138.73 37.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER -159.4 -75.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 110.256 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 162.31 122.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 115' ' ' GLY . 80.6 p -118.19 38.11 3.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 114' ' ' SER . . . 37.29 -157.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.75 -89.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 118' ' ' ALA . 31.2 t -95.4 -46.15 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 117' ' ' SER . . . 55.26 162.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 104.94 -21.09 36.93 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -101.05 154.69 18.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 1.069 ' HB2' HG21 ' A' ' 160' ' ' VAL . 1.2 m-85 -69.7 -153.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.683 ' O ' ' HG ' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -147.45 153.46 39.6 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.973 HG23 HG12 ' A' ' 160' ' ' VAL . 0.9 OUTLIER -117.54 145.82 22.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.816 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -133.77 120.72 20.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 111.076 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.539 HD12 ' CZ ' ' A' ' 158' ' ' PHE . 69.2 mt -96.97 112.61 24.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.61 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 1.2 mt -97.03 123.54 49.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.605 ' HB2' ' HD2' ' A' ' 128' ' ' PRO . 4.9 p-10 -74.99 176.73 2.78 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.231 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.605 ' HD2' ' HB2' ' A' ' 127' ' ' ASN . 18.5 Cg_endo -74.98 52.47 3.06 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.441 1.759 . . . . 0.0 111.043 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.437 ' HB2' ' OD1' ' A' ' 127' ' ' ASN . 54.9 mt-30 -152.58 -44.3 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 142.12 -16.52 2.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.61 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -71.14 133.79 46.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.476 0.751 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.816 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -108.77 145.87 34.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.525 ' CE1' ' HD2' ' A' ' 131' ' ' LYS . 49.3 m-85 -111.15 127.19 55.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.517 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 5.5 mtm180 -102.43 -2.64 28.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.73 ' OG ' HG12 ' A' ' 137' ' ' VAL . 10.0 t -141.8 147.02 36.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.644 ' HA ' ' CE2' ' A' ' 158' ' ' PHE . 5.6 ttpt -64.61 -30.68 71.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.73 HG12 ' OG ' ' A' ' 135' ' ' SER . 1.0 OUTLIER -60.03 -46.64 93.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.451 1.094 . . . . 0.0 109.207 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -24.01 64.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 151' ' ' LEU . 12.8 tp -59.4 -48.91 79.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.663 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -63.07 -45.75 97.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -41.38 -50.59 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.64 ' O ' ' HB ' ' A' ' 146' ' ' VAL . 1.1 m-85 -88.77 -39.42 13.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.612 ' HB3' ' HA ' ' A' ' 140' ' ' ILE . 79.0 t80 -65.44 -21.19 66.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.663 ' N ' ' O ' ' A' ' 140' ' ' ILE . 1.1 tm-20 -49.0 -43.94 40.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.486 ' O ' ' CG ' ' A' ' 145' ' ' LYS . 8.9 pttt -176.84 68.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.64 ' HB ' ' O ' ' A' ' 142' ' ' TYR . 9.1 p -109.15 -10.2 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.94 11.28 53.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ASP . . . . . 0.479 ' OD1' ' CG ' ' A' ' 128' ' ' PRO . 32.3 m-20 -93.48 94.78 8.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 0.755 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 149' ' ' THR . 0.8 OUTLIER -100.53 100.31 11.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.424 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 149' ' ' THR . 1.3 t 157.27 -52.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 139' ' ' LEU . 0.1 OUTLIER -88.81 119.78 29.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -127.07 170.82 9.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.517 ' HD3' ' CE2' ' A' ' 143' ' ' PHE . 18.5 Cg_endo -74.93 -9.9 21.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.04 -8.76 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.249 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -142.82 30.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.498 ' CD2' ' O ' ' A' ' 153' ' ' PRO . 0.6 OUTLIER -55.44 -169.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 111.029 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.713 ' O ' HG23 ' A' ' 159' ' ' THR . 0.1 OUTLIER -121.27 -2.17 9.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.796 ' HA ' HG11 ' A' ' 123' ' ' VAL . 66.1 m-85 -49.14 113.3 0.77 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' THR . . . . . 0.895 ' OG1' HG21 ' A' ' 123' ' ' VAL . 21.5 p -108.34 -92.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 110.397 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 1.069 HG21 ' HB2' ' A' ' 121' ' ' TYR . 7.8 p -49.04 -22.57 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.789 HG22 ' HB ' ' A' ' 123' ' ' VAL . 2.8 t -120.78 20.77 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 158' ' ' PHE . . . -137.34 -78.03 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -9.25 58.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 0.732 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.453 ' C ' ' HD3' ' A' ' 166' ' ' PRO . . . 38.31 33.22 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.16 76.35 8.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.761 . . . . 0.0 110.014 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 167' ' ' SER . 18.5 Cg_endo -74.97 -54.44 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.532 1.806 . . . . 0.0 111.065 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 166' ' ' PRO . 1.1 t 85.21 129.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.992 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 169' ' ' ARG . 0.0 OUTLIER -159.05 -58.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 168' ' ' ARG . 14.4 ptm180 38.06 90.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -151.07 113.13 4.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.332 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -141.82 157.17 45.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -179.76 104.68 0.18 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.252 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 136.04 19.84 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.45 1.763 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -171.19 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.523 1.801 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.44 116.44 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 109.244 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -94.07 178.04 5.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.405 1.065 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -174.69 177.22 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt 66.85 154.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.397 1.061 . . . . 0.0 109.278 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 87.4 p -151.67 134.95 9.16 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 170.13 21.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.778 . . . . 0.0 110.99 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -179.09 147.26 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.61 146.07 4.06 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.952 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.69 3.0 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 177.76 126.18 0.97 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 29.2 t -178.14 165.78 1.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 109.97 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 50.43 -109.36 0.67 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.2 80.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 148.85 82.95 0.04 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.88 -55.36 1.99 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 0.774 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . -127.56 132.05 7.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 191' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 192' ' ' PRO . 5.0 mtt85 -76.11 134.12 71.39 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.448 0.734 . . . . 0.0 110.238 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 192' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 191' ' ' ARG . 18.5 Cg_endo -74.94 55.75 4.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.58 1.832 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 2.4 tptt 54.61 -157.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 194' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 195' ' ' SER . . . 152.14 148.41 4.84 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.557 1.16 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 195' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 194' ' ' GLY . 0.7 OUTLIER 83.76 123.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 110.009 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.113 . . . . 0.0 110.96 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 163.66 34.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 76' ' ' PRO . . . -124.53 151.52 44.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 74' ' ' ALA . 74.0 t -39.57 99.99 0.21 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.99 -53.91 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 110.97 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 40.08 86.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 110.342 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.69 59.12 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.4 t -166.6 82.25 0.26 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -154.61 75.8 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.47 72.52 0.21 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.047 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 63.65 5.95 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.96 -178.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -69.03 108.01 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -37.79 -52.43 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 85' ' ' ARG . 20.4 ttt180 33.36 88.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 110.366 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.5 t 177.44 93.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.1 mt -118.12 -51.48 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.0 pt -70.83 -172.63 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.0 mmm-85 -71.03 162.84 28.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -133.04 74.24 1.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 59.73 103.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -112.5 -87.44 1.67 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -168.13 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.1 -168.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.538 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 27.4 p90 -43.19 167.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.538 ' CB ' ' O ' ' A' ' 96' ' ' TYR . 3.0 t70 85.16 129.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.507 ' OD1' ' CA ' ' A' ' 104' ' ' GLY . 0.2 OUTLIER 168.59 112.76 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.624 ' C ' HG22 ' A' ' 100' ' ' THR . 18.3 Cg_endo -75.0 -80.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.464 1.771 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.624 HG22 ' C ' ' A' ' 99' ' ' PRO . 0.0 OUTLIER 162.03 -102.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.582 1.176 . . . . 0.0 110.411 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.749 HD13 ' O ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -37.55 -52.23 2.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 101' ' ' LEU . 18.1 Cg_endo -75.04 78.82 2.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.447 1.762 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 102' ' ' PRO . 17.3 mp0 37.59 92.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.507 ' CA ' ' OD1' ' A' ' 98' ' ' ASP . . . -179.55 -124.4 0.88 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.77 ' O ' HG23 ' A' ' 106' ' ' THR . 0.0 OUTLIER 61.39 91.49 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.77 HG23 ' O ' ' A' ' 105' ' ' TRP . 1.2 p -162.09 179.07 8.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.619 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -88.16 128.13 35.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.327 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.697 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.6 OUTLIER -111.39 130.06 55.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.87 HD21 ' HB2' ' A' ' 121' ' ' TYR . 2.1 tt -101.74 142.57 32.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.524 ' N ' HD23 ' A' ' 109' ' ' LEU . 1.6 mtpt -151.27 -174.65 4.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -95.15 138.58 32.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.17 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.773 HH11 ' HB1' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -110.83 -176.47 2.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.52 177.28 4.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.2 m 38.32 57.98 1.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.0 110.027 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 117' ' ' SER . . . -134.85 54.84 0.75 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? 64.92 -75.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.766 . . . . 0.0 110.226 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 115' ' ' GLY . 42.7 t -123.52 55.36 1.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.061 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.773 ' HB1' HH11 ' A' ' 112' ' ' ARG . . . -51.62 157.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 165.17 -58.81 0.25 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.552 1.158 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.471 ' O ' ' NE ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -80.76 142.79 33.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.87 ' HB2' HD21 ' A' ' 109' ' ' LEU . 15.5 m-85 -52.67 -171.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 111.069 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.568 ' C ' HG11 ' A' ' 160' ' ' VAL . 0.5 OUTLIER -140.99 153.17 45.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 1.086 HG21 ' OG1' ' A' ' 159' ' ' THR . 0.9 OUTLIER -107.37 150.21 10.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.726 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -130.45 124.5 32.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.483 HD22 ' OD2' ' A' ' 157' ' ' ASP . 81.8 mt -95.54 113.64 25.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.627 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 3.2 mt -96.26 122.47 47.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.821 ' OD1' HD23 ' A' ' 151' ' ' LEU . 1.0 OUTLIER -73.16 179.66 1.09 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.749 ' O ' HD13 ' A' ' 101' ' ' LEU . 18.3 Cg_endo -75.0 1.86 7.27 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.479 1.778 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -100.29 -27.37 13.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.42 ' CA ' HG21 ' A' ' 100' ' ' THR . . . 118.22 1.68 16.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.627 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -84.57 132.98 34.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 0.809 . . . . 0.0 109.25 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.726 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -103.87 143.03 33.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.597 ' CD1' ' HB3' ' A' ' 138' ' ' GLU . 7.3 m-85 -114.63 125.81 54.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.546 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 4.6 mtp180 -93.15 -4.16 52.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.52 146.16 37.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.499 ' HE2' ' CE2' ' A' ' 156' ' ' PHE . 14.9 ttmt -69.49 -27.94 65.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.2 p -59.47 -41.29 84.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.238 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.597 ' HB3' ' CD1' ' A' ' 133' ' ' PHE . 4.5 tp10 -62.07 -23.6 66.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.974 HD11 HD11 ' A' ' 151' ' ' LEU . 11.7 tp -60.44 -48.18 82.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.788 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.3 OUTLIER -61.53 -45.33 98.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -44.31 -49.14 9.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.922 ' O ' HG12 ' A' ' 146' ' ' VAL . 0.2 OUTLIER -87.12 -28.72 22.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 111.036 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.66 ' HB3' ' HA ' ' A' ' 140' ' ' ILE . 6.4 t80 -80.51 -20.17 44.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.788 ' N ' ' O ' ' A' ' 140' ' ' ILE . 2.5 tm-20 -48.67 -50.34 33.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.07 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 0.0 OUTLIER 169.19 41.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.922 HG12 ' O ' ' A' ' 142' ' ' TYR . 0.9 OUTLIER -87.68 -11.02 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 147.88 -40.61 0.95 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.443 1.089 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ASP . . . . . 0.461 ' CG ' ' N ' ' A' ' 149' ' ' THR . 0.0 OUTLIER 55.42 168.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.757 HG22 ' N ' ' A' ' 150' ' ' SER . 0.6 OUTLIER -158.68 -72.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.475 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.757 ' N ' HG22 ' A' ' 149' ' ' THR . 9.9 t -159.98 34.23 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.009 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.974 HD11 HD11 ' A' ' 139' ' ' LEU . 0.2 OUTLIER -138.86 112.55 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.58 ' OD1' ' CZ ' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -125.21 168.76 12.69 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.613 ' O ' ' CE2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -74.98 -6.0 17.51 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -100.91 -13.26 18.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.04 18.6 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.834 ' CE1' ' CE1' ' A' ' 158' ' ' PHE . 0.0 OUTLIER -55.54 -172.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.928 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.565 ' O ' HG23 ' A' ' 159' ' ' THR . 0.0 OUTLIER -124.51 0.42 8.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.834 ' CE1' ' CE1' ' A' ' 156' ' ' PHE . 0.1 OUTLIER -38.36 103.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 111.056 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 159' ' ' THR . . . . . 1.086 ' OG1' HG21 ' A' ' 123' ' ' VAL . 0.7 OUTLIER -108.8 -95.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.396 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.794 ' HB ' HD11 ' A' ' 109' ' ' LEU . 10.6 p -49.53 -38.63 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.489 ' HB ' ' H ' ' A' ' 123' ' ' VAL . 8.3 t -91.42 -23.97 19.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.411 1.069 . . . . 0.0 110.375 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' GLY . . . . . 0.458 ' CA ' ' HB2' ' A' ' 158' ' ' PHE . . . -70.41 -41.95 66.0 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -76.31 -24.17 54.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 80.08 -78.71 1.78 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.15 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.56 115.94 48.72 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.433 0.725 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' PRO . . . . . 0.428 ' O ' ' CB ' ' A' ' 167' ' ' SER . 18.2 Cg_endo -74.99 -158.1 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.465 1.771 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 166' ' ' PRO . 0.6 OUTLIER 165.09 -84.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 55.0 25.72 7.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.247 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -119.0 170.41 9.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -129.44 137.34 50.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -94.41 -79.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.34 91.66 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 158.56 41.93 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -165.05 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.473 1.775 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.71 -164.55 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.78 166.26 26.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.364 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -154.26 -171.96 4.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -161.13 133.42 5.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 21.7 t -107.66 124.0 36.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.033 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 151.75 39.95 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.468 1.773 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.75 133.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.16 143.41 16.56 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -167.24 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 111.045 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -146.63 -177.13 21.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.115 . . . . 0.0 111.063 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 73.6 m -164.12 171.94 14.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -173.89 48.29 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -167.65 159.88 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -170.69 -79.88 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.96 -15.46 12.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.525 0.78 . . . . 0.0 110.377 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . 61.13 -143.76 48.64 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.93 87.48 0.21 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 192' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -73.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.565 1.824 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.32 173.94 11.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 109.24 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 194' ' ' GLY . . . . . 0.534 ' O ' ' CB ' ' A' ' 195' ' ' SER . . . -111.94 49.13 0.87 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.533 1.145 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 195' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 194' ' ' GLY . 0.4 OUTLIER 88.28 86.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 0.812 . . . . 0.0 109.953 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.143 . . . . 0.0 110.992 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 149.47 36.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -117.94 113.49 21.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.389 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.6 t -120.93 85.41 40.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 134.93 18.56 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.532 1.806 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.45 140.08 58.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.86 172.22 14.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 t -109.8 139.2 45.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.055 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.65 -174.51 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.41 150.61 23.89 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.962 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -163.59 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.538 1.809 . . . . 0.0 111.023 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 -173.31 4.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -92.01 -47.72 7.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.23 26.96 12.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.506 ' HG3' HD12 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -89.54 154.67 19.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.4 m -167.35 -55.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.506 HD12 ' HG3' ' A' ' 86' ' ' ARG . 1.3 mp 61.2 149.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.761 HG23 ' N ' ' A' ' 90' ' ' ARG . 0.4 OUTLIER 62.16 -177.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.25 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.761 ' N ' HG23 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -167.56 -166.35 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -88.16 171.31 10.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.44 -171.83 2.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 110.363 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -160.39 101.01 0.19 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -177.37 3.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.57 ' HG2' ' CD1' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -115.42 -0.42 13.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 110.969 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.704 ' CE1' ' CB ' ' A' ' 110' ' ' LYS . 0.6 OUTLIER -81.6 -65.07 1.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' A' ' 96' ' ' TYR . 3.3 m-20 151.71 -171.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -123.42 73.4 50.6 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.577 ' HG2' HD13 ' A' ' 126' ' ' ILE . 18.4 Cg_endo -74.92 -77.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.544 1.812 . . . . 0.0 111.031 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.462 ' O ' ' OG1' ' A' ' 100' ' ' THR . 0.2 OUTLIER 35.9 53.57 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.406 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 25.7 mt -63.16 112.15 6.35 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.404 ' O ' ' HB3' ' A' ' 103' ' ' GLU . 18.2 Cg_endo -75.03 50.21 2.47 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 102' ' ' PRO . 8.7 pt-20 168.27 -41.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 105' ' ' TRP . . . -103.06 -150.18 21.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.376 1.048 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.717 ' CE3' ' O ' ' A' ' 126' ' ' ILE . 1.8 p-90 178.77 152.91 0.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.542 ' N ' ' CE3' ' A' ' 105' ' ' TRP . 1.6 p -152.47 169.18 23.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -95.81 120.2 35.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.636 ' N ' ' O ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -107.84 138.05 44.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.999 HD11 ' HB ' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -94.94 143.37 26.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.704 ' CB ' ' CE1' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -131.89 167.87 18.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.579 ' HB2' ' CE2' ' A' ' 121' ' ' TYR . 35.3 tt0 -95.23 135.52 36.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.344 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER 162.52 135.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.267 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -152.09 -77.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.395 1.059 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 115' ' ' GLY . 25.6 t -179.05 36.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 117' ' ' SER . . . 43.64 -168.53 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? 62.7 -76.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.4 0.706 . . . . 0.0 110.347 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 115' ' ' GLY . 35.4 t -132.41 51.79 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 110.059 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 113' ' ' LYS . . . -55.78 -104.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 92.62 -54.99 2.7 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.39 144.18 44.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 0.808 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.592 ' O ' HG22 ' A' ' 160' ' ' VAL . 3.0 m-85 -101.96 -174.14 2.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.561 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 0.1 OUTLIER -119.0 155.91 30.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.367 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 1.054 HG23 HG12 ' A' ' 160' ' ' VAL . 0.9 OUTLIER -101.18 149.44 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.713 ' CE2' ' HB3' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -136.47 120.5 17.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 110.999 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.998 HD11 ' O ' ' A' ' 157' ' ' ASP . 63.3 mt -105.4 116.63 32.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.721 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 2.4 mt -92.03 149.41 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.641 ' ND2' ' CE2' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -102.83 178.47 1.19 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.211 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 127' ' ' ASN . 18.4 Cg_endo -75.01 44.81 1.23 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.51 1.794 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.417 ' H ' ' C ' ' A' ' 127' ' ' ASN . 39.5 mt-30 -145.9 -45.66 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 143.5 -15.61 2.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.721 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 5.9 ttmt -68.41 146.76 52.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.713 ' HB3' ' CE2' ' A' ' 124' ' ' TYR . . . -122.19 131.06 53.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.641 ' CE2' ' ND2' ' A' ' 127' ' ' ASN . 12.4 m-85 -96.53 125.01 40.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.573 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 4.0 mtp-105 -81.93 -19.87 39.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.985 ' OG ' HG12 ' A' ' 137' ' ' VAL . 39.0 t -143.35 151.66 40.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.945 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.587 ' HD2' ' CE1' ' A' ' 156' ' ' PHE . 12.7 ttpt -64.13 -25.62 68.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.985 HG12 ' OG ' ' A' ' 135' ' ' SER . 2.3 p -57.84 -46.67 87.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.14 -23.95 57.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.576 HD11 ' CD1' ' A' ' 151' ' ' LEU . 12.6 tp -59.23 -48.93 79.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.758 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -60.39 -46.27 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.376 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -44.16 -47.75 9.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.942 ' O ' HG12 ' A' ' 146' ' ' VAL . 0.1 OUTLIER -82.49 -29.12 30.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.611 1.195 . . . . 0.0 110.937 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.528 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -81.26 -21.57 39.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.758 ' N ' ' O ' ' A' ' 140' ' ' ILE . 0.2 OUTLIER -50.16 -52.5 34.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.645 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 0.0 OUTLIER 172.2 58.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.942 HG12 ' O ' ' A' ' 142' ' ' TYR . 1.4 p -106.15 -11.61 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 92.96 45.0 3.71 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.66 161.21 13.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.603 HG22 ' O ' ' A' ' 149' ' ' THR . 0.3 OUTLIER -162.49 102.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.435 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.42 ' OG ' ' CD1' ' A' ' 105' ' ' TRP . 10.2 t 169.73 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.687 HD22 ' CE2' ' A' ' 105' ' ' TRP . 0.7 OUTLIER -98.84 134.99 40.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.415 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . 0.3 OUTLIER -124.43 173.52 4.62 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 152' ' ' ASP . 18.3 Cg_endo -74.93 -3.18 13.53 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.515 1.798 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.47 -5.28 27.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.4 33.49 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.587 ' CE1' ' HD2' ' A' ' 136' ' ' LYS . 54.7 p90 -70.88 -160.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.998 ' O ' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -146.06 160.68 41.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.701 ' O ' ' CD1' ' A' ' 158' ' ' PHE . 0.1 OUTLIER 177.46 111.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 110.986 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 159' ' ' THR . . . . . 0.923 ' H ' HG21 ' A' ' 123' ' ' VAL . 24.8 p -106.8 -92.33 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 1.054 HG12 HG23 ' A' ' 123' ' ' VAL . 9.3 p -49.02 -21.62 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.358 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.547 HG22 ' CG1' ' A' ' 123' ' ' VAL . 1.7 t -117.94 20.14 13.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' GLY . . . . . 0.647 ' CA ' ' CD2' ' A' ' 158' ' ' PHE . . . -137.13 -134.42 3.27 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -11.78 59.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 0.812 . . . . 0.0 110.309 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -78.1 60.0 3.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 62.2 p -89.84 116.4 66.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 167' ' ' SER . 18.5 Cg_endo -74.98 -27.91 9.66 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.807 . . . . 0.0 111.031 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 166' ' ' PRO . 97.3 p -37.63 134.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.967 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.26 -166.96 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.75 177.24 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 71.8 124.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -137.44 141.21 41.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.84 94.94 12.58 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.321 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.02 42.92 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 174.92 11.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.72 155.35 7.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.01 -81.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . 65.87 167.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 76.69 146.05 0.09 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.5 m -145.92 149.32 38.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 181' ' ' LYS . 18.0 Cg_endo -75.06 -60.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 181' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 180' ' ' PRO . 9.3 pttp 46.95 -172.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 170.23 152.95 0.18 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.073 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -167.28 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 161.08 117.18 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 74.7 p -165.07 162.07 20.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.795 . . . . 0.0 110.042 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 164.37 169.24 27.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -171.23 172.91 5.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 0.716 . . . . 0.0 110.308 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -159.14 106.29 0.28 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.27 -8.62 13.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 0.756 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 190' ' ' GLY . . . . . 0.423 ' O ' ' CB ' ' A' ' 191' ' ' ARG . . . -71.88 173.43 44.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.522 1.138 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 191' ' ' ARG . . . . . 0.48 ' N ' ' CD ' ' A' ' 192' ' ' PRO . 0.0 OUTLIER 163.39 -52.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 110.259 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 192' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 191' ' ' ARG . 18.2 Cg_endo -75.02 103.89 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.522 1.801 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.45 122.77 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . 162.54 114.78 0.32 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 13.6 p -115.57 91.9 3.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 0.76 . . . . 0.0 110.068 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -164.52 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.3 127.04 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.7 t -135.84 91.02 18.18 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -168.87 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -177.19 142.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -165.37 164.45 19.71 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.535 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 0.4 OUTLIER 174.94 169.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 79' ' ' SER . . . 173.73 156.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 43.6 t -179.96 91.91 0.19 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -175.03 2.15 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -174.86 121.88 0.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.234 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 85' ' ' ARG . 1.7 mt-30 -115.21 103.42 10.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.479 ' O ' ' C ' ' A' ' 86' ' ' ARG . 8.4 ptm180 -36.97 -50.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.273 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 85' ' ' ARG . 1.5 ttt180 32.75 88.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.7 p -143.82 98.93 3.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.067 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.544 ' O ' HD13 ' A' ' 88' ' ' ILE . 0.1 OUTLIER -64.56 118.99 7.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 90' ' ' ARG . 1.5 pt -105.82 -171.14 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 89' ' ' ILE . 4.0 ttt180 84.98 166.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.174 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -173.67 -178.21 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.71 -177.26 4.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 161.72 99.4 0.14 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -164.65 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.436 1.756 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.45 -48.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.946 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 97' ' ' ASP . 44.5 m-85 -56.13 -167.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.963 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -40.05 129.09 2.21 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.528 ' N ' ' CD ' ' A' ' 99' ' ' PRO . 0.2 OUTLIER 162.6 -51.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 98' ' ' ASP . 18.1 Cg_endo -75.03 57.97 4.76 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.573 1.828 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.567 ' HA ' HG21 ' A' ' 126' ' ' ILE . 43.6 p -105.32 59.25 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.35 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.582 HD13 ' HA3' ' A' ' 104' ' ' GLY . 0.0 OUTLIER -105.08 170.02 6.44 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.512 ' HA ' ' HA ' ' A' ' 128' ' ' PRO . 18.2 Cg_endo -75.07 -35.69 2.94 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.502 1.79 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -100.61 -8.18 23.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.582 ' HA3' HD13 ' A' ' 101' ' ' LEU . . . -109.57 9.59 32.68 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.789 ' HE1' HD22 ' A' ' 151' ' ' LEU . 0.0 OUTLIER -45.64 129.92 8.94 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 105' ' ' TRP . 1.6 p -158.41 174.63 14.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.429 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.507 ' HB2' ' CD2' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -90.94 129.4 36.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 110.339 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.603 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -117.94 125.68 50.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.851 HD11 ' HB ' ' A' ' 160' ' ' VAL . 0.7 OUTLIER -95.08 141.62 28.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 122' ' ' ASP . 0.7 OUTLIER -160.0 150.08 18.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -100.7 136.95 39.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.227 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.15 57.28 1.06 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -61.77 122.22 14.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.41 38.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.964 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 116' ' ' ARG . . . 73.6 -56.57 2.08 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 115' ' ' GLY . 0.2 OUTLIER -37.87 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 0.773 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.7 t -126.66 74.12 1.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.965 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -101.64 126.36 48.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 148.46 -63.26 0.42 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.58 151.46 21.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 0.777 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.764 ' HB2' HD21 ' A' ' 109' ' ' LEU . 17.8 m-85 -80.28 -167.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.576 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 0.3 OUTLIER -147.74 152.02 37.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.769 HG23 HG12 ' A' ' 160' ' ' VAL . 1.2 t -102.46 147.23 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.855 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -132.54 122.39 24.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.967 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.507 ' CD2' ' HB2' ' A' ' 107' ' ' ARG . 50.0 mt -97.44 113.19 24.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.632 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 2.6 mt -92.01 119.98 40.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 109.219 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.586 ' HB2' ' HD2' ' A' ' 128' ' ' PRO . 4.1 p-10 -70.7 176.47 1.94 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.586 ' HD2' ' HB2' ' A' ' 127' ' ' ASN . 17.8 Cg_endo -75.05 53.1 3.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.541 1.811 . . . . 0.0 110.968 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.435 ' HB2' ' OD1' ' A' ' 127' ' ' ASN . 25.1 mt-30 -153.26 -44.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 141.88 -15.28 2.62 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.65 ' CD ' ' CE1' ' A' ' 142' ' ' TYR . 0.0 OUTLIER -72.68 138.28 46.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.855 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -104.46 147.89 27.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 127' ' ' ASN . 25.5 m-85 -118.77 125.73 50.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 111.047 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.479 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 17.1 mtp180 -99.25 -7.61 26.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.525 ' HB2' HG12 ' A' ' 137' ' ' VAL . 36.5 p -141.38 147.22 37.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.973 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.665 ' CD ' ' CE2' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -63.46 -29.46 70.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' A' ' 135' ' ' SER . 0.5 OUTLIER -60.46 -48.16 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.57 -22.87 62.36 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.547 1.155 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.638 ' HG ' ' CE2' ' A' ' 143' ' ' PHE . 12.0 tp -60.3 -50.5 73.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.229 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.703 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -70.67 -42.49 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -46.58 -48.54 19.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.382 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.65 ' CE1' ' CD ' ' A' ' 131' ' ' LYS . 0.3 OUTLIER -83.88 -28.3 28.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.699 ' HB2' ' HA ' ' A' ' 140' ' ' ILE . 6.6 m-30 -79.61 -21.43 44.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.142 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.703 ' N ' ' O ' ' A' ' 140' ' ' ILE . 1.0 OUTLIER -57.15 -28.5 62.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 0.0 110.305 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 146' ' ' VAL . 0.4 OUTLIER -94.1 -48.85 6.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.666 HG12 ' HA ' ' A' ' 143' ' ' PHE . 7.5 p -84.64 12.06 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.687 ' N ' ' O ' ' A' ' 143' ' ' PHE . . . 37.58 38.7 0.47 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ASP . . . . . 0.589 ' HB2' ' CD2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER 56.92 163.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 0.726 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 149' ' ' THR . 0.3 OUTLIER -160.17 103.98 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.42 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 149' ' ' THR . 1.4 t 85.9 -56.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.789 HD22 ' HE1' ' A' ' 105' ' ' TRP . 0.3 OUTLIER -107.59 137.67 45.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.479 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . 0.4 OUTLIER -126.28 177.07 2.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 152' ' ' ASP . 18.3 Cg_endo -74.96 -5.08 16.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.787 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -104.26 -7.51 20.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -147.24 42.0 1.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.665 ' CE2' ' CD ' ' A' ' 136' ' ' LYS . 7.0 p90 -77.22 -169.8 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.498 ' HB3' ' CD2' ' A' ' 125' ' ' LEU . 10.0 t0 -107.54 -99.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.749 ' HA ' HG11 ' A' ' 123' ' ' VAL . 68.4 m-85 57.24 104.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' THR . . . . . 0.719 ' OG1' ' N ' ' A' ' 160' ' ' VAL . 1.2 p -112.08 -82.78 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.851 ' HB ' HD11 ' A' ' 109' ' ' LEU . 14.7 p -50.5 -39.98 18.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.473 ' HB ' ' H ' ' A' ' 123' ' ' VAL . 15.4 t -95.41 -22.95 17.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' GLY . . . . . 0.534 ' HA3' ' O ' ' A' ' 158' ' ' PHE . . . -75.13 -3.57 69.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.67 -9.65 59.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 102.1 -105.48 2.81 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 12.0 m -116.05 89.29 24.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.962 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -53.35 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.462 1.77 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.86 -83.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.931 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 174.85 97.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 -156.72 160.46 39.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 178.84 93.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.53 159.91 41.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? 179.83 86.73 0.19 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 174' ' ' PRO . 18.3 Cg_endo -75.03 150.05 37.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 174' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 173' ' ' PRO . 18.0 Cg_endo -75.03 -165.4 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.473 1.775 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.96 132.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.19 151.42 1.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.386 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -178.22 137.27 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.99 141.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 50.8 p 176.32 79.96 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' PRO . . . . . 0.477 ' O ' ' CB ' ' A' ' 181' ' ' LYS . 18.1 Cg_endo -75.05 158.45 42.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.445 1.761 . . . . 0.0 110.957 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 181' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 180' ' ' PRO . 0.5 OUTLIER 166.12 152.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 51.7 p 176.82 77.69 0.1 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.964 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.22 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.034 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 141.33 110.04 0.8 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 4.5 t -172.66 146.72 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.957 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 186' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 187' ' ' ARG . . . 125.86 -178.05 16.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.458 1.099 . . . . 0.0 111.051 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 187' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 186' ' ' GLY . 0.5 OUTLIER 84.02 159.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 110.319 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 118.06 54.2 0.29 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 111.055 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.42 5.83 10.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 0.79 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . -55.92 137.2 46.88 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.59 1.181 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 178.27 67.13 0.1 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.541 0.789 . . . . 0.0 110.297 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 192' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 170.58 20.1 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.35 172.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . 150.44 63.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 28.6 p -172.1 171.01 5.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.426 0.721 . . . . 0.0 110.047 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.553 1.158 . . . . 0.0 111.038 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -169.62 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.536 1.808 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -177.15 114.19 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.8 t -112.64 110.81 52.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -176.05 2.66 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -169.37 144.88 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -159.88 153.83 23.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.43 131.48 0.94 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 1.073 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -132.17 169.41 16.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.8 t -176.26 91.03 0.27 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -170.35 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.535 1.808 . . . . 0.0 110.95 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -151.01 -177.7 6.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -128.17 -47.31 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 110.346 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 71.8 15.87 5.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.48 135.51 35.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 t -173.46 76.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.035 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.455 ' N ' HD13 ' A' ' 88' ' ' ILE . 0.1 OUTLIER -57.92 -165.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.64 HG23 ' N ' ' A' ' 90' ' ' ARG . 0.6 OUTLIER -163.83 -152.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.64 ' N ' HG23 ' A' ' 89' ' ' ILE . 0.2 OUTLIER 175.1 174.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.27 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -144.1 172.8 12.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.03 171.16 14.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -166.52 94.37 0.11 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.448 1.092 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 115.95 4.44 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.798 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 2.1 ttm -175.18 34.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.8 p90 178.11 179.63 0.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.589 1.181 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -165.09 174.23 10.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.369 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.423 ' N ' ' HD3' ' A' ' 99' ' ' PRO . 0.6 OUTLIER -139.45 63.71 28.74 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.619 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 18.2 Cg_endo -74.98 54.3 3.59 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.492 1.785 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.41 ' HB ' ' N ' ' A' ' 104' ' ' GLY . 12.6 p -84.56 76.69 10.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.601 ' N ' ' CD ' ' A' ' 102' ' ' PRO . 22.7 mt -62.02 -46.67 91.81 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 101' ' ' LEU . 18.4 Cg_endo -74.97 5.57 3.89 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.786 . . . . 0.0 111.047 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 102' ' ' PRO . 0.0 OUTLIER 88.32 5.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.41 ' N ' ' HB ' ' A' ' 100' ' ' THR . . . -173.03 92.32 0.09 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -179.03 111.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.508 ' N ' ' CE3' ' A' ' 105' ' ' TRP . 6.9 t -152.54 146.54 25.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.612 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 5.5 ptp180 -94.75 128.26 41.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.611 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -111.71 122.76 48.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.829 HD21 ' HB2' ' A' ' 121' ' ' TYR . 2.2 tt -97.88 143.17 28.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.425 1.078 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.554 ' N ' HD23 ' A' ' 109' ' ' LEU . 4.0 mtpt -152.01 -174.67 4.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -93.58 128.64 39.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.327 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -60.23 2.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.9 156.6 45.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.92 39.56 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.954 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 116' ' ' ARG . . . 174.94 -73.4 0.08 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.606 1.191 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 115' ' ' GLY . 0.2 OUTLIER -38.94 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 0.784 . . . . 0.0 110.252 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 118' ' ' ALA . 47.8 t -127.87 39.53 3.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.977 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 117' ' ' SER . . . -39.91 139.0 0.71 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.2 -109.84 0.25 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.483 ' CB ' ' HG3' ' A' ' 166' ' ' PRO . 0.1 OUTLIER -105.76 148.09 27.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.829 ' HB2' HD21 ' A' ' 109' ' ' LEU . 40.0 m-85 -53.22 -171.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.562 ' O ' ' HA ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -139.28 153.53 47.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.977 HG21 ' OG1' ' A' ' 159' ' ' THR . 1.0 OUTLIER -111.38 150.19 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.799 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -129.82 122.25 28.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 111.033 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.809 HD13 ' OD2' ' A' ' 157' ' ' ASP . 66.0 mt -92.84 113.01 25.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.542 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 4.5 mt -94.37 123.39 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.545 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 1.0 OUTLIER -77.07 -179.97 1.4 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 127' ' ' ASN . 18.4 Cg_endo -75.02 1.51 7.67 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.564 1.823 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.41 -12.35 16.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.247 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 98.76 15.1 35.09 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.1 OUTLIER -93.94 124.69 38.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.799 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -94.25 140.85 29.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.842 ' CE1' ' CD2' ' A' ' 142' ' ' TYR . 6.3 m-85 -116.52 125.62 52.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.531 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 8.2 mtm180 -98.32 -9.43 25.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.204 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.4 t -142.5 148.1 37.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.974 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.579 ' HG3' ' CD1' ' A' ' 156' ' ' PHE . 1.2 tttm -63.94 -30.88 71.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 1.9 p -59.55 -46.49 92.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.599 ' O ' ' CD2' ' A' ' 142' ' ' TYR . 0.1 OUTLIER -62.63 -22.76 66.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.724 HD23 ' HA ' ' A' ' 153' ' ' PRO . 14.3 tp -58.23 -49.31 77.54 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.714 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -63.99 -48.0 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -48.98 -48.23 43.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.842 ' CD2' ' CE1' ' A' ' 133' ' ' PHE . 35.5 m-85 -78.89 -29.21 44.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.742 ' O ' ' N ' ' A' ' 147' ' ' GLY . 5.5 m-30 -81.24 -22.91 38.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.714 ' N ' ' O ' ' A' ' 140' ' ' ILE . 1.1 tm-20 -55.37 -29.02 57.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.499 ' CG ' ' N ' ' A' ' 146' ' ' VAL . 0.0 OUTLIER -89.82 -51.93 5.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.203 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.499 ' N ' ' CG ' ' A' ' 145' ' ' LYS . 12.3 p -84.61 12.46 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.742 ' N ' ' O ' ' A' ' 143' ' ' PHE . . . 37.7 32.46 0.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ASP . . . . . 0.599 ' HB2' ' CD2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER 64.82 157.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.77 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 149' ' ' THR . 0.3 OUTLIER -156.48 105.96 2.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.439 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 149' ' ' THR . 0.1 OUTLIER 82.52 -71.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.415 HD23 ' H ' ' A' ' 151' ' ' LEU . 0.6 OUTLIER -82.26 128.72 34.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 155' ' ' ASP . 11.0 p30 -102.13 156.41 35.27 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' PRO . . . . . 0.724 ' HA ' HD23 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -74.94 -15.97 20.6 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.609 1.847 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -80.63 -12.46 59.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.464 ' N ' ' OD2' ' A' ' 152' ' ' ASP . 0.3 OUTLIER -151.74 30.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.671 ' CZ ' ' HB3' ' A' ' 158' ' ' PHE . 5.7 p90 -48.85 146.94 2.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.809 ' OD2' HD13 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -61.94 79.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.944 ' O ' ' CD1' ' A' ' 158' ' ' PHE . 0.1 OUTLIER -95.8 114.67 26.43 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 159' ' ' THR . . . . . 0.977 ' OG1' HG21 ' A' ' 123' ' ' VAL . 1.1 p -108.6 -112.73 0.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.726 HG11 ' HG ' ' A' ' 109' ' ' LEU . 10.3 p -51.96 -38.19 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.47 ' HB ' ' H ' ' A' ' 123' ' ' VAL . 8.7 t -93.53 13.85 20.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 0.0 110.419 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 162' ' ' GLY . . . . . 0.622 ' CA ' ' CD2' ' A' ' 158' ' ' PHE . . . -115.18 -98.85 2.21 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -25.03 51.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 160' ' ' VAL . . . -103.16 37.75 3.57 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 78.5 p -83.95 123.58 75.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.057 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' PRO . . . . . 0.483 ' HG3' ' CB ' ' A' ' 120' ' ' LYS . 18.2 Cg_endo -75.01 -74.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 110.957 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.4 t 65.9 168.57 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.37 1.044 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -112.49 84.09 1.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 74.98 129.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -124.91 170.58 10.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.251 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -136.74 176.47 8.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -171.93 94.74 0.4 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 157.63 42.86 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -175.37 2.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.553 1.817 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -174.79 119.2 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.602 1.189 . . . . 0.0 109.301 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 177' ' ' ALA . 0.8 OUTLIER -156.44 168.89 25.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.592 1.183 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 177' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 176' ' ' LYS . . . 173.53 142.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -159.16 171.82 19.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.278 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 32.4 p 178.89 90.16 0.17 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.959 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.41 16.43 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.531 1.806 . . . . 0.0 111.075 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -160.39 153.26 21.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 1.2 t -172.32 90.67 0.41 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.956 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -167.65 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.417 1.746 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -174.97 160.88 30.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 80.8 p -165.69 166.59 17.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 0.732 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -156.75 -176.65 29.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.441 1.088 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -137.95 -177.75 4.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -170.65 118.53 0.76 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 189' ' ' ARG . . . . . 0.49 ' CG ' ' N ' ' A' ' 190' ' ' GLY . 0.3 OUTLIER -111.4 -149.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.795 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 190' ' ' GLY . . . . . 0.49 ' N ' ' CG ' ' A' ' 189' ' ' ARG . . . -148.27 -141.1 3.44 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.96 148.96 23.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.734 . . . . 0.0 110.312 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 192' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -174.51 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.28 146.51 5.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.591 1.182 . . . . 0.0 109.355 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . 80.57 121.13 0.45 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 7.0 p 178.8 -47.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 0.719 . . . . 0.0 109.998 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.437 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.08 -69.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.401 1.737 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 73' ' ' PRO . . . 68.17 154.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.5 HG23 ' HD2' ' A' ' 76' ' ' PRO . 7.4 p -170.18 140.84 1.64 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PRO . . . . . 0.5 ' HD2' HG23 ' A' ' 75' ' ' VAL . 18.5 Cg_endo -74.93 -175.72 2.49 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.546 1.814 . . . . 0.0 111.057 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.564 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.2 OUTLIER 173.45 169.3 0.16 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . 75.66 121.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.437 1.085 . . . . 0.0 109.268 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.657 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 9.2 t -173.93 168.63 4.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.034 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . 81.44 143.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 86.1 p -177.66 90.16 0.24 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -170.78 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.566 1.824 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.57 41.62 2.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 60.39 145.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.19 3.48 54.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -41.0 122.98 1.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.7 t -122.49 162.86 20.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.977 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.8 mp -126.98 137.62 57.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 90' ' ' ARG . 19.6 mm -115.59 167.26 8.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.52 ' N ' HG22 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -152.59 176.02 12.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -175.6 175.38 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.66 -172.16 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.264 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -170.64 -74.87 0.04 OUTLIER Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.503 1.127 . . . . 0.0 111.08 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 173.85 13.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.39 1.731 . . . . 0.0 110.993 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 1.2 mtt -89.25 -7.0 56.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 60.52 128.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 175.64 128.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.17 152.09 24.31 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 65.94 6.06 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.437 1.757 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.563 HG21 ' HA ' ' A' ' 106' ' ' THR . 9.6 t -133.24 -142.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.38 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.498 ' N ' ' OG1' ' A' ' 100' ' ' THR . 0.0 OUTLIER -93.41 112.98 58.89 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.449 ' O ' ' CB ' ' A' ' 103' ' ' GLU . 18.2 Cg_endo -75.03 57.56 4.63 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.42 1.748 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 102' ' ' PRO . 1.6 mt-10 164.15 -42.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -83.39 -107.62 0.52 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.442 1.089 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TRP . . . . . 0.719 ' CE2' HD12 ' A' ' 151' ' ' LEU . 2.2 t90 -78.24 140.03 38.9 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 105' ' ' TRP . 21.7 p -158.88 143.09 15.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.523 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -93.94 124.79 38.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.64 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -114.27 122.33 46.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.941 HD21 ' CB ' ' A' ' 121' ' ' TYR . 5.8 tt -96.64 143.93 27.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.704 ' N ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -159.62 150.42 19.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -100.92 136.66 40.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -40.66 -47.17 2.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 114' ' ' SER . 0.4 OUTLIER 62.72 135.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.183 . . . . 0.0 109.24 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 0.5 OUTLIER 160.65 -32.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.043 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 102.24 -43.16 1.75 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.455 1.097 . . . . 0.0 111.051 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -38.53 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 110.324 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.4 t -126.98 70.18 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -96.24 138.38 33.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 173.73 -56.4 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -97.56 153.59 18.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.979 ' HB2' HG21 ' A' ' 160' ' ' VAL . 0.9 OUTLIER -103.61 -166.03 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.404 1.065 . . . . 0.0 111.027 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.631 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 1.3 t70 -148.71 143.68 26.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.785 HG21 ' OG1' ' A' ' 159' ' ' THR . 1.1 t -103.25 135.99 38.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.756 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -115.8 124.76 51.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.704 HD12 ' CE2' ' A' ' 158' ' ' PHE . 50.5 mt -95.28 114.02 25.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ILE . . . . . 0.751 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 4.9 mt -90.6 118.55 36.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.744 ' HB2' ' CD ' ' A' ' 128' ' ' PRO . 4.5 p30 -88.87 -170.16 0.24 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.768 ' O ' ' CB ' ' A' ' 129' ' ' GLN . 18.3 Cg_endo -74.95 123.67 8.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.768 ' CB ' ' O ' ' A' ' 128' ' ' PRO . 24.0 mt-30 117.93 -12.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 110.222 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 100.4 12.35 38.91 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.396 1.06 . . . . 0.0 111.068 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . 0.751 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 1.8 ttmt -79.11 145.66 33.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 0.796 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.756 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -121.26 152.77 38.5 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 138' ' ' GLU . 13.2 m-85 -128.05 125.48 39.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ARG . . . . . 0.511 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 2.6 mtp-105 -102.34 1.15 35.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' SER . . . . . 0.479 ' HB3' HG12 ' A' ' 137' ' ' VAL . 0.4 OUTLIER -141.79 147.83 37.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.058 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 158' ' ' PHE . 12.9 ttpt -68.73 -21.01 64.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.479 HG12 ' HB3' ' A' ' 135' ' ' SER . 2.4 p -66.22 -44.91 91.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.57 ' HB3' ' CD1' ' A' ' 133' ' ' PHE . 2.5 tp10 -60.67 -24.01 65.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.322 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 143' ' ' PHE . 10.9 tp -62.39 -49.02 77.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.771 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -62.37 -44.66 99.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -42.7 -50.52 5.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.963 ' CD2' HG11 ' A' ' 146' ' ' VAL . 0.2 OUTLIER -89.02 -28.6 20.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.702 ' HB3' ' HA ' ' A' ' 140' ' ' ILE . 45.9 t80 -78.3 -20.59 51.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLU . . . . . 0.771 ' N ' ' O ' ' A' ' 140' ' ' ILE . 4.9 tm-20 -49.89 -50.59 45.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' LYS . . . . . 0.594 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 0.0 OUTLIER 170.23 49.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 146' ' ' VAL . . . . . 0.963 HG11 ' CD2' ' A' ' 142' ' ' TYR . 1.3 p -96.5 -10.98 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 110.44 48.32 0.76 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.147 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ASP . . . . . 0.546 ' OD2' HG12 ' A' ' 146' ' ' VAL . 44.3 m-20 -129.59 115.97 18.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 0.805 . . . . 0.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 149' ' ' THR . 0.6 OUTLIER -126.43 105.58 8.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.454 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 149' ' ' THR . 3.8 t 161.85 -66.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.127 . . . . 0.0 110.015 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' LEU . . . . . 0.886 HD11 ' OD1' ' A' ' 157' ' ' ASP . 2.2 mt -84.5 139.54 32.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ASP . . . . . 0.518 ' HA ' ' CE1' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -127.96 154.87 78.37 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -6.05 17.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.791 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' A' ' 155' ' ' ASP . 14.7 t30 -97.09 -10.27 26.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 154' ' ' ASN . 0.8 OUTLIER -154.02 44.15 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.264 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.595 ' HA ' HD22 ' A' ' 151' ' ' LEU . 7.6 p90 -54.96 -169.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.886 ' OD1' HD11 ' A' ' 151' ' ' LEU . 58.4 m-20 -112.7 -14.01 13.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.704 ' CE2' HD12 ' A' ' 125' ' ' LEU . 70.0 m-85 -44.24 117.56 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' THR . . . . . 0.785 ' OG1' HG21 ' A' ' 123' ' ' VAL . 61.8 p -110.08 -86.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.979 HG21 ' HB2' ' A' ' 121' ' ' TYR . 6.2 p -50.22 -27.22 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.067 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' THR . . . . . 0.573 HG21 ' O ' ' A' ' 123' ' ' VAL . 7.3 t -120.38 21.52 11.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' GLY . . . . . 0.496 ' HA3' ' O ' ' A' ' 158' ' ' PHE . . . -138.19 -77.42 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.427 1.079 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.0 -11.06 59.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 0.769 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.04 -100.96 2.74 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 8.2 t -89.55 116.83 67.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.011 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -53.84 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.457 1.767 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.99 -163.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.103 . . . . 0.0 109.947 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -123.29 81.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.44 174.76 0.39 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -179.71 121.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.37 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -128.72 151.2 49.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.73 117.67 0.4 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 174' ' ' PRO . 18.2 Cg_endo -75.03 141.27 26.35 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 173' ' ' PRO . 18.5 Cg_endo -74.94 -72.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.507 1.793 . . . . 0.0 111.008 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 78.93 140.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -163.58 125.45 2.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -124.24 172.71 8.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -171.28 137.17 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.252 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.31 149.37 69.6 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 177.66 8.31 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.512 1.796 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -155.49 145.0 21.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.39 113.72 4.79 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.035 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -170.58 0.8 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.48 1.779 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -169.91 173.25 44.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 30.6 t -179.66 161.94 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.026 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 152.03 115.01 0.63 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.57 154.72 2.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 0.791 . . . . 0.0 110.288 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -109.51 -115.68 3.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.581 1.176 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -119.83 -66.63 1.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 0.731 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . 47.74 69.91 0.83 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.46 94.32 0.59 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.282 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 192' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 194' ' ' GLY . 18.2 Cg_endo -75.03 -175.43 2.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.579 1.831 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.25 98.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 194' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 192' ' ' PRO . . . -139.81 63.61 0.54 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.53 161.47 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 0.741 . . . . 0.0 110.016 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.934 ' CH2' HD21 ' A' ' 151' ' ' LEU . 2.0 t90 63.96 125.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.605 ' O ' HD12 ' A' ' 126' ' ' ILE . 1.7 m -159.02 149.91 19.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 107' ' ' ARG . 1.3 ttp85 -94.71 126.6 40.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.769 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -115.69 136.0 53.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.945 HD21 ' CB ' ' A' ' 121' ' ' TYR . 6.4 tt -112.63 143.74 43.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.088 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.885 ' N ' HD23 ' A' ' 109' ' ' LEU . 2.8 mmtt -151.42 -179.76 7.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -85.42 136.33 33.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -93.67 40.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 114' ' ' SER . 0.9 OUTLIER -43.9 165.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 1.1 t 86.0 46.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.098 . . . . 0.0 110.054 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 117' ' ' SER . . . -145.55 51.45 0.6 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.515 1.135 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 65.52 -73.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 110.27 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 115' ' ' GLY . 42.5 t -127.35 23.33 6.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 39.63 -154.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 166.41 -109.1 0.34 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -76.9 152.86 35.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.945 ' CB ' HD21 ' A' ' 109' ' ' LEU . 12.5 m-85 -70.07 -159.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.646 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 0.3 OUTLIER -148.11 141.39 25.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.879 HG21 ' OG1' ' A' ' 159' ' ' THR . 1.2 t -97.6 148.46 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.819 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -131.21 123.96 29.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.037 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' ' 157' ' ' ASP . 81.6 mt -98.67 113.92 26.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.652 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 2.9 mt -92.47 122.78 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.468 ' ND2' ' HD2' ' A' ' 128' ' ' PRO . 0.5 OUTLIER -72.32 175.22 3.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.623 ' HD3' ' CE3' ' A' ' 105' ' ' TRP . 18.2 Cg_endo -74.99 62.08 5.78 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.411 ' HG2' ' H ' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -169.86 -38.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 137.74 -7.46 3.58 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.652 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -72.23 127.49 32.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.819 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -101.72 147.14 26.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.459 ' CD2' ' O ' ' A' ' 125' ' ' LEU . 31.1 m-85 -116.35 123.94 48.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.6 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 4.7 mtm180 -109.66 -4.7 15.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.553 ' HB3' HG12 ' A' ' 137' ' ' VAL . 72.7 m -141.28 146.56 36.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -63.23 -19.74 64.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.553 HG12 ' HB3' ' A' ' 135' ' ' SER . 0.2 OUTLIER -70.29 -50.34 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -59.87 -23.19 63.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.863 HD11 ' CZ ' ' A' ' 143' ' ' PHE . 11.4 tp -61.84 -50.13 73.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.756 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.2 OUTLIER -61.08 -46.12 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -41.6 -49.52 4.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . 0.787 ' O ' HG12 ' A' ' 146' ' ' VAL . 2.0 m-85 -89.77 -31.55 17.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.863 ' CZ ' HD11 ' A' ' 139' ' ' LEU . 3.3 m-85 -75.72 -19.29 59.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . 0.756 ' N ' ' O ' ' A' ' 140' ' ' ILE . 0.8 OUTLIER -47.04 -50.18 19.93 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.538 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 3.5 ptmt 177.61 57.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 142' ' ' TYR . 0.8 OUTLIER -109.63 -10.22 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 142.43 -70.59 0.42 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . 0.437 ' OD1' ' HA ' ' A' ' 143' ' ' PHE . 70.7 m-20 58.51 161.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.676 HG22 ' N ' ' A' ' 150' ' ' SER . 0.7 OUTLIER -106.23 -69.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.676 ' N ' HG22 ' A' ' 149' ' ' THR . 46.4 t -169.16 51.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.934 HD21 ' CH2' ' A' ' 105' ' ' TRP . 0.5 OUTLIER -141.33 132.94 27.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . 0.508 ' OD1' ' CB ' ' A' ' 154' ' ' ASN . 2.4 p-10 -103.84 166.36 11.82 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 152' ' ' ASP . 18.3 Cg_endo -74.99 -19.68 17.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.508 ' CB ' ' OD1' ' A' ' 152' ' ' ASP . 7.9 t30 -72.74 -8.65 56.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . 0.441 ' N ' ' OD2' ' A' ' 152' ' ' ASP . 6.8 t70 -153.55 50.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' A' ' 158' ' ' PHE . 2.9 p90 -48.87 -177.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.59 ' OD1' HD13 ' A' ' 151' ' ' LEU . 9.7 m-20 -104.77 -9.11 18.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.675 ' HA ' HG11 ' A' ' 123' ' ' VAL . 5.7 m-30 -46.44 124.22 5.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . 0.879 ' OG1' HG21 ' A' ' 123' ' ' VAL . 72.5 p -110.51 -85.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.941 HG21 ' HB2' ' A' ' 121' ' ' TYR . 6.1 p -51.9 -27.52 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.5 ' HB ' ' H ' ' A' ' 123' ' ' VAL . 9.3 t -119.08 20.46 12.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . 0.513 ' HA3' ' O ' ' A' ' 158' ' ' PHE . . . -131.84 -76.2 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.21 -10.51 59.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.056 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.463 ' O ' ' CB ' ' A' ' 105' ' ' TRP . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.609 ' CD1' ' C ' ' A' ' 105' ' ' TRP . 0.0 OUTLIER 164.66 124.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.483 HG22 ' H ' ' A' ' 107' ' ' ARG . 11.4 m -153.5 173.75 15.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.548 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -91.49 128.9 37.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.713 ' HZ1' HD12 ' A' ' 126' ' ' ILE . 0.0 OUTLIER -111.15 125.87 54.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.926 HD21 ' CB ' ' A' ' 121' ' ' TYR . 6.3 tt -102.78 143.27 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.801 ' N ' HD23 ' A' ' 109' ' ' LEU . 2.3 mtpt -153.04 171.96 17.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.463 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 1.8 mt-30 -87.11 130.98 34.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.26 8.82 40.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.486 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 6.9 ttpt -41.6 -78.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER 39.08 29.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.03 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 113' ' ' LYS . . . -148.38 -91.08 0.09 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.25 -70.32 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 0.729 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 118' ' ' ALA . 47.0 t -128.77 48.95 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.486 ' HB2' ' HA ' ' A' ' 113' ' ' LYS . . . -37.09 -88.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 173.05 -101.68 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.592 1.183 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 121' ' ' TYR . 0.2 OUTLIER -103.11 155.97 18.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 0.724 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.926 ' CB ' HD21 ' A' ' 109' ' ' LEU . 8.1 m-85 -55.94 -155.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.559 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 0.3 OUTLIER -148.76 150.15 32.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 1.013 HG21 ' OG1' ' A' ' 159' ' ' THR . 1.2 t -108.54 148.97 12.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.763 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -133.66 123.02 24.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 110.981 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.56 HD21 ' OD1' ' A' ' 157' ' ' ASP . 55.3 mt -96.51 114.12 25.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.713 HD12 ' HZ1' ' A' ' 108' ' ' LYS . 10.0 mt -95.85 119.93 44.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.519 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 1.0 OUTLIER -70.71 179.25 0.91 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.519 ' CD ' ' CB ' ' A' ' 127' ' ' ASN . 18.3 Cg_endo -74.99 2.99 6.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.556 1.819 . . . . 0.0 110.976 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.48 ' NE2' ' OH ' ' A' ' 142' ' ' TYR . 0.0 OUTLIER -104.03 -22.51 13.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 111.37 10.02 20.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.595 1.185 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.584 ' HG2' ' CE1' ' A' ' 133' ' ' PHE . 1.1 ttmt -90.01 124.35 34.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.763 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -94.65 139.24 31.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.584 ' CE1' ' HG2' ' A' ' 131' ' ' LYS . 26.8 m-85 -113.93 125.53 54.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 1.6 mtm180 -99.13 -7.61 26.39 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.48 ' HB3' ' CG1' ' A' ' 137' ' ' VAL . 0.4 OUTLIER -141.58 147.74 38.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.049 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.663 ' CD ' ' CE2' ' A' ' 156' ' ' PHE . 12.0 ttpt -66.51 -21.75 66.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.087 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' A' ' 135' ' ' SER . 2.3 p -67.04 -46.86 83.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -24.27 65.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.924 HD11 HD21 ' A' ' 151' ' ' LEU . 11.9 tp -60.36 -48.77 80.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.774 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -61.77 -44.79 99.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -44.56 -49.89 9.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . 0.855 ' O ' HG12 ' A' ' 146' ' ' VAL . 0.1 OUTLIER -86.39 -28.97 23.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.685 ' HB3' ' HA ' ' A' ' 140' ' ' ILE . 45.0 t80 -79.16 -21.28 46.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . 0.774 ' N ' ' O ' ' A' ' 140' ' ' ILE . 0.8 OUTLIER -49.52 -45.4 47.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.358 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.609 ' CG ' ' O ' ' A' ' 145' ' ' LYS . 4.1 ttpt 162.08 66.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.855 HG12 ' O ' ' A' ' 142' ' ' TYR . 9.8 p -102.21 -8.03 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.12 3.4 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . 0.455 ' OD1' ' ND2' ' A' ' 127' ' ' ASN . 48.5 m-20 -138.41 124.74 20.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.791 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 149' ' ' THR . 0.6 OUTLIER -131.48 108.44 9.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.9 t 169.78 -46.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.993 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.924 HD21 HD11 ' A' ' 139' ' ' LEU . 0.2 OUTLIER -100.75 110.46 22.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -107.45 178.74 1.01 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . 0.616 ' O ' ' CD1' ' A' ' 156' ' ' PHE . 18.5 Cg_endo -74.96 -22.65 14.69 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -95.42 -13.23 24.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -100.25 -13.05 19.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.663 ' CE2' ' CD ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -52.28 142.64 16.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.979 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.56 ' OD1' HD21 ' A' ' 125' ' ' LEU . 1.2 p30 -85.94 -66.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.677 ' CD2' HG23 ' A' ' 161' ' ' THR . 0.6 OUTLIER 50.39 114.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . 1.013 ' OG1' HG21 ' A' ' 123' ' ' VAL . 0.1 OUTLIER -104.74 -96.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.396 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.989 HG12 HG23 ' A' ' 123' ' ' VAL . 13.7 p -49.86 -19.21 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.677 HG23 ' CD2' ' A' ' 158' ' ' PHE . 2.2 t -117.75 19.93 13.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . 0.495 ' HA3' ' HB3' ' A' ' 158' ' ' PHE . . . -127.4 -80.5 0.31 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.122 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -10.94 59.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.616 ' CD1' ' N ' ' A' ' 105' ' ' TRP . 0.0 OUTLIER -106.01 100.02 9.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.766 ' O ' HD12 ' A' ' 126' ' ' ILE . 0.7 OUTLIER -157.02 159.69 38.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.353 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.605 ' CB ' HD23 ' A' ' 125' ' ' LEU . 5.4 ppt_? -96.53 121.31 38.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.774 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -110.33 154.68 23.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.902 HD11 ' HB ' ' A' ' 160' ' ' VAL . 3.0 tt -116.12 141.61 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 122' ' ' ASP . 0.5 OUTLIER -162.3 147.28 12.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.488 ' CB ' ' HA ' ' A' ' 121' ' ' TYR . 18.3 pt20 -99.06 137.02 38.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.26 -81.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 176.35 74.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.5 77.4 4.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 132.6 -167.24 23.21 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.448 1.093 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -48.88 -87.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 118' ' ' ALA . 39.4 t -103.75 13.51 32.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 117' ' ' SER . . . 40.63 -131.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 129.46 -27.66 4.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.64 154.55 20.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.883 ' HB2' HD21 ' A' ' 109' ' ' LEU . 8.2 m-85 -66.11 -168.38 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.412 1.07 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.588 ' C ' HG11 ' A' ' 160' ' ' VAL . 0.3 OUTLIER -144.04 154.49 43.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 1.036 HG23 HG12 ' A' ' 160' ' ' VAL . 1.2 t -96.22 149.35 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.774 ' N ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -136.77 121.48 18.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.861 HD11 ' O ' ' A' ' 157' ' ' ASP . 45.1 mt -105.32 113.47 27.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.766 HD12 ' O ' ' A' ' 106' ' ' THR . 0.9 OUTLIER -96.68 131.36 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.209 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.638 ' OD1' ' CE2' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -87.07 -177.3 0.87 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.592 ' CD ' ' CB ' ' A' ' 127' ' ' ASN . 18.5 Cg_endo -74.91 49.28 2.18 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.526 1.803 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -143.08 -53.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 147.38 -21.81 1.53 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.563 1.165 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.602 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 6.1 tttp -71.06 143.79 50.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.644 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -112.5 140.29 47.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.638 ' CE2' ' OD1' ' A' ' 127' ' ' ASN . 16.1 m-85 -104.05 125.94 50.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.501 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 23.7 mtm180 -86.43 -13.84 45.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.553 1.158 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.473 ' HB3' ' CG1' ' A' ' 137' ' ' VAL . 0.9 OUTLIER -142.07 149.05 39.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.013 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.648 ' CE ' ' CZ ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -66.18 -27.09 67.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 135' ' ' SER . 2.3 p -59.11 -42.2 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -23.22 65.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.616 HD11 ' CD1' ' A' ' 151' ' ' LEU . 12.4 tp -58.26 -51.18 70.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.723 HD12 ' HG3' ' A' ' 153' ' ' PRO . 0.0 OUTLIER -62.25 -44.81 99.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -43.95 -48.84 8.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . 0.915 ' O ' HG12 ' A' ' 146' ' ' VAL . 1.7 t80 -82.24 -35.28 28.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.719 ' O ' ' HA2' ' A' ' 147' ' ' GLY . 0.0 OUTLIER -72.13 -23.88 61.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . 0.71 ' N ' ' O ' ' A' ' 140' ' ' ILE . 4.8 tm-20 -51.75 -20.99 2.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.406 1.066 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -124.77 -63.23 1.19 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.915 HG12 ' O ' ' A' ' 142' ' ' TYR . 10.8 p -80.27 2.98 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 109.242 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.719 ' HA2' ' O ' ' A' ' 143' ' ' PHE . . . 37.41 26.57 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 146' ' ' VAL . 73.5 m-20 33.16 90.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 149' ' ' THR . 0.6 OUTLIER -81.21 93.89 6.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.389 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.589 ' CB ' ' O ' ' A' ' 149' ' ' THR . 0.5 OUTLIER 151.85 -53.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.383 1.052 . . . . 0.0 109.987 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.616 ' CD1' HD11 ' A' ' 139' ' ' LEU . 1.0 OUTLIER -132.72 107.85 8.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . 0.482 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . 0.2 OUTLIER -98.82 177.1 1.68 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . 0.723 ' HG3' HD12 ' A' ' 140' ' ' ILE . 18.5 Cg_endo -75.07 -5.63 17.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 111.029 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -102.14 2.85 37.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -165.16 47.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.648 ' CZ ' ' CE ' ' A' ' 136' ' ' LYS . 47.6 p90 -95.01 168.22 10.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 111.061 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.861 ' O ' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -106.6 131.2 54.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.641 ' CD1' ' N ' ' A' ' 158' ' ' PHE . 0.2 OUTLIER -152.77 106.29 3.05 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . 0.914 ' H ' HG21 ' A' ' 123' ' ' VAL . 0.8 OUTLIER -106.6 -96.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.401 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 1.036 HG12 HG23 ' A' ' 123' ' ' VAL . 12.6 p -46.92 -23.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.579 HG22 ' CG1' ' A' ' 123' ' ' VAL . 1.3 t -116.51 19.41 14.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . 0.435 ' HA3' ' CD2' ' A' ' 158' ' ' PHE . . . -138.89 -112.97 1.09 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.564 1.165 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . 0.407 ' N ' ' HD2' ' A' ' 163' ' ' ARG . 15.7 mmm180 -77.28 -23.47 51.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 0.723 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.112 . . . . 0.0 111.028 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 105' ' ' TRP . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.593 ' CD1' ' HB3' ' A' ' 128' ' ' PRO . 0.0 OUTLIER -35.51 102.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.461 HG22 HD12 ' A' ' 126' ' ' ILE . 1.2 t -155.31 154.07 31.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.41 1.069 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 1.1 tmm_? -94.6 130.2 41.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.325 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.636 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -117.22 128.78 55.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.392 1.057 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.866 HD21 ' HB2' ' A' ' 121' ' ' TYR . 0.8 OUTLIER -97.44 143.25 28.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 122' ' ' ASP . 0.6 OUTLIER -164.94 145.64 7.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.37 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -100.84 135.0 42.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.01 77.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -69.9 74.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.388 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.03 59.47 1.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -159.55 -167.09 19.71 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -55.01 -74.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 110.302 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.5 t -131.26 87.09 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.0 -147.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.386 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 124.05 -34.64 3.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.415 1.072 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -84.79 146.51 27.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.898 ' HB2' HG21 ' A' ' 160' ' ' VAL . 1.3 m-85 -85.98 -172.23 3.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.596 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 0.3 OUTLIER -147.52 151.44 36.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.586 1.178 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.837 HG23 HG12 ' A' ' 160' ' ' VAL . 1.2 t -102.12 147.42 8.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.774 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -133.65 121.8 22.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.783 HD21 ' HB3' ' A' ' 157' ' ' ASP . 59.4 mt -97.38 114.28 26.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.53 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 3.0 mt -92.84 124.05 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.61 1.193 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.836 ' HB2' ' HD2' ' A' ' 128' ' ' PRO . 53.2 p30 -78.93 176.5 3.64 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.836 ' HD2' ' HB2' ' A' ' 127' ' ' ASN . 18.4 Cg_endo -75.08 15.59 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.462 ' H ' ' C ' ' A' ' 127' ' ' ASN . 13.1 mt-30 -117.6 -11.41 10.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.224 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.484 ' N ' ' OD1' ' A' ' 127' ' ' ASN . . . 98.73 9.47 52.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 111.073 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.7 OUTLIER -91.29 127.62 36.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 0.805 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.774 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -95.35 141.76 28.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.869 ' CE1' ' CD2' ' A' ' 142' ' ' TYR . 8.2 m-30 -119.68 125.7 49.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 0.8 OUTLIER -99.82 1.28 42.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.23 145.7 35.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.048 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.51 ' HD2' ' CE2' ' A' ' 156' ' ' PHE . 0.7 OUTLIER -69.44 -34.64 74.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.54 -41.5 82.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.642 ' O ' ' CD2' ' A' ' 142' ' ' TYR . 0.5 OUTLIER -64.47 -22.46 66.97 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.759 HD11 HD11 ' A' ' 151' ' ' LEU . 13.4 tp -56.18 -49.18 74.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.5 OUTLIER -59.52 -47.85 89.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 138' ' ' GLU . . . -41.34 -50.54 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.075 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . 0.869 ' CD2' ' CE1' ' A' ' 133' ' ' PHE . 29.5 m-85 -86.01 -42.71 13.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.401 1.063 . . . . 0.0 110.996 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.602 ' CE1' ' OD1' ' A' ' 152' ' ' ASP . 1.0 OUTLIER -59.36 -24.79 63.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 140' ' ' ILE . 2.5 tm-20 -52.0 -33.09 36.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 0.4 OUTLIER -178.05 62.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.656 ' HB ' ' O ' ' A' ' 142' ' ' TYR . 7.4 p -111.99 -12.6 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 148' ' ' ASP . . . 89.96 30.75 12.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . 0.432 ' OD1' ' HA ' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -38.08 113.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.249 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.488 ' CG2' ' NE1' ' A' ' 105' ' ' TRP . 0.6 OUTLIER -93.31 2.53 56.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.455 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.4 t 168.34 -40.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 110.007 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.759 HD11 HD11 ' A' ' 139' ' ' LEU . 0.7 OUTLIER -71.95 97.15 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . 0.602 ' OD1' ' CE1' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -129.29 172.24 7.47 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . 0.641 ' O ' ' CE2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -75.05 -6.1 17.59 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -96.5 -17.26 20.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -133.57 19.45 3.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.641 ' CE2' ' O ' ' A' ' 153' ' ' PRO . 0.0 OUTLIER -53.58 -174.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.398 1.061 . . . . 0.0 110.965 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.783 ' HB3' HD21 ' A' ' 125' ' ' LEU . 10.3 t70 -124.4 -50.76 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.678 ' CG ' ' O ' ' A' ' 158' ' ' PHE . 2.0 p90 12.43 89.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . 0.774 ' OG1' HG21 ' A' ' 123' ' ' VAL . 1.5 p -109.19 -87.48 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 110.398 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.898 HG21 ' HB2' ' A' ' 121' ' ' TYR . 9.9 p -47.12 -27.18 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.671 HG22 ' HB ' ' A' ' 123' ' ' VAL . 11.6 t -119.95 21.32 11.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . 0.568 ' HA3' ' CD2' ' A' ' 158' ' ' PHE . . . -141.14 -99.9 0.39 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . 0.618 ' CD ' ' CE2' ' A' ' 158' ' ' PHE . 12.3 mmm180 -76.68 -24.12 53.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 0.727 . . . . 0.0 110.376 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 159' ' ' THR . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.398 1.061 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.602 ' CD1' ' C ' ' A' ' 105' ' ' TRP . 0.1 OUTLIER -121.06 116.58 25.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.445 HG22 ' N ' ' A' ' 107' ' ' ARG . 18.1 m -159.42 167.24 29.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.489 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 4.4 ttp85 -95.39 130.03 42.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.642 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -116.83 127.54 54.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.938 HD21 ' CB ' ' A' ' 121' ' ' TYR . 7.0 tt -100.67 139.88 35.72 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.549 ' N ' HD23 ' A' ' 109' ' ' LEU . 14.5 pttt -149.46 139.78 22.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.403 ' HG2' ' N ' ' A' ' 112' ' ' ARG . 2.3 tm0? -101.23 138.73 37.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER -159.4 -75.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 110.256 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 162.31 122.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 115' ' ' GLY . 80.6 p -118.19 38.11 3.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 114' ' ' SER . . . 37.29 -157.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.75 -89.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 118' ' ' ALA . 31.2 t -95.4 -46.15 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 117' ' ' SER . . . 55.26 162.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 104.94 -21.09 36.93 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -101.05 154.69 18.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 1.069 ' HB2' HG21 ' A' ' 160' ' ' VAL . 1.2 m-85 -69.7 -153.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.683 ' O ' ' HG ' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -147.45 153.46 39.6 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.973 HG23 HG12 ' A' ' 160' ' ' VAL . 0.9 OUTLIER -117.54 145.82 22.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.816 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -133.77 120.72 20.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 111.076 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.539 HD12 ' CZ ' ' A' ' 158' ' ' PHE . 69.2 mt -96.97 112.61 24.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.61 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 1.2 mt -97.03 123.54 49.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.605 ' HB2' ' HD2' ' A' ' 128' ' ' PRO . 4.9 p-10 -74.99 176.73 2.78 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.231 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.605 ' HD2' ' HB2' ' A' ' 127' ' ' ASN . 18.5 Cg_endo -74.98 52.47 3.06 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.441 1.759 . . . . 0.0 111.043 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.437 ' HB2' ' OD1' ' A' ' 127' ' ' ASN . 54.9 mt-30 -152.58 -44.3 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 142.12 -16.52 2.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.61 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -71.14 133.79 46.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.476 0.751 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.816 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -108.77 145.87 34.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.525 ' CE1' ' HD2' ' A' ' 131' ' ' LYS . 49.3 m-85 -111.15 127.19 55.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.517 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 5.5 mtm180 -102.43 -2.64 28.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.73 ' OG ' HG12 ' A' ' 137' ' ' VAL . 10.0 t -141.8 147.02 36.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.644 ' HA ' ' CE2' ' A' ' 158' ' ' PHE . 5.6 ttpt -64.61 -30.68 71.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.73 HG12 ' OG ' ' A' ' 135' ' ' SER . 1.0 OUTLIER -60.03 -46.64 93.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.451 1.094 . . . . 0.0 109.207 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -24.01 64.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 151' ' ' LEU . 12.8 tp -59.4 -48.91 79.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.663 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -63.07 -45.75 97.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -41.38 -50.59 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . 0.64 ' O ' ' HB ' ' A' ' 146' ' ' VAL . 1.1 m-85 -88.77 -39.42 13.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.612 ' HB3' ' HA ' ' A' ' 140' ' ' ILE . 79.0 t80 -65.44 -21.19 66.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . 0.663 ' N ' ' O ' ' A' ' 140' ' ' ILE . 1.1 tm-20 -49.0 -43.94 40.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 145' ' ' LYS . 8.9 pttt -176.84 68.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.64 ' HB ' ' O ' ' A' ' 142' ' ' TYR . 9.1 p -109.15 -10.2 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.94 11.28 53.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . 0.479 ' OD1' ' CG ' ' A' ' 128' ' ' PRO . 32.3 m-20 -93.48 94.78 8.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 0.755 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 149' ' ' THR . 0.8 OUTLIER -100.53 100.31 11.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.424 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 149' ' ' THR . 1.3 t 157.27 -52.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 139' ' ' LEU . 0.1 OUTLIER -88.81 119.78 29.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -127.07 170.82 9.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . 0.517 ' HD3' ' CE2' ' A' ' 143' ' ' PHE . 18.5 Cg_endo -74.93 -9.9 21.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.04 -8.76 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.249 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -142.82 30.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.498 ' CD2' ' O ' ' A' ' 153' ' ' PRO . 0.6 OUTLIER -55.44 -169.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 111.029 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.713 ' O ' HG23 ' A' ' 159' ' ' THR . 0.1 OUTLIER -121.27 -2.17 9.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.796 ' HA ' HG11 ' A' ' 123' ' ' VAL . 66.1 m-85 -49.14 113.3 0.77 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . 0.895 ' OG1' HG21 ' A' ' 123' ' ' VAL . 21.5 p -108.34 -92.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 110.397 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 1.069 HG21 ' HB2' ' A' ' 121' ' ' TYR . 7.8 p -49.04 -22.57 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.789 HG22 ' HB ' ' A' ' 123' ' ' VAL . 2.8 t -120.78 20.77 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 158' ' ' PHE . . . -137.34 -78.03 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -9.25 58.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 0.732 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 110.953 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.77 ' O ' HG23 ' A' ' 106' ' ' THR . 0.0 OUTLIER 61.39 91.49 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.77 HG23 ' O ' ' A' ' 105' ' ' TRP . 1.2 p -162.09 179.07 8.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.619 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -88.16 128.13 35.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.327 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.697 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.6 OUTLIER -111.39 130.06 55.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.87 HD21 ' HB2' ' A' ' 121' ' ' TYR . 2.1 tt -101.74 142.57 32.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.524 ' N ' HD23 ' A' ' 109' ' ' LEU . 1.6 mtpt -151.27 -174.65 4.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -95.15 138.58 32.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.17 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.773 HH11 ' HB1' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -110.83 -176.47 2.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.52 177.28 4.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.2 m 38.32 57.98 1.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.0 110.027 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 117' ' ' SER . . . -134.85 54.84 0.75 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? 64.92 -75.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.766 . . . . 0.0 110.226 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 115' ' ' GLY . 42.7 t -123.52 55.36 1.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.061 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.773 ' HB1' HH11 ' A' ' 112' ' ' ARG . . . -51.62 157.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 165.17 -58.81 0.25 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.552 1.158 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.471 ' O ' ' NE ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -80.76 142.79 33.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.87 ' HB2' HD21 ' A' ' 109' ' ' LEU . 15.5 m-85 -52.67 -171.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 111.069 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.568 ' C ' HG11 ' A' ' 160' ' ' VAL . 0.5 OUTLIER -140.99 153.17 45.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 1.086 HG21 ' OG1' ' A' ' 159' ' ' THR . 0.9 OUTLIER -107.37 150.21 10.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.726 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -130.45 124.5 32.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.483 HD22 ' OD2' ' A' ' 157' ' ' ASP . 81.8 mt -95.54 113.64 25.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.627 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 3.2 mt -96.26 122.47 47.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.821 ' OD1' HD23 ' A' ' 151' ' ' LEU . 1.0 OUTLIER -73.16 179.66 1.09 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.586 ' HG3' HG21 ' A' ' 149' ' ' THR . 18.3 Cg_endo -75.0 1.86 7.27 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.479 1.778 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -100.29 -27.37 13.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 118.22 1.68 16.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.627 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -84.57 132.98 34.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 0.809 . . . . 0.0 109.25 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.726 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -103.87 143.03 33.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.597 ' CD1' ' HB3' ' A' ' 138' ' ' GLU . 7.3 m-85 -114.63 125.81 54.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.546 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 4.6 mtp180 -93.15 -4.16 52.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.52 146.16 37.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.499 ' HE2' ' CE2' ' A' ' 156' ' ' PHE . 14.9 ttmt -69.49 -27.94 65.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.2 p -59.47 -41.29 84.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.238 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.597 ' HB3' ' CD1' ' A' ' 133' ' ' PHE . 4.5 tp10 -62.07 -23.6 66.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.974 HD11 HD11 ' A' ' 151' ' ' LEU . 11.7 tp -60.44 -48.18 82.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.788 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.3 OUTLIER -61.53 -45.33 98.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -44.31 -49.14 9.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . 0.922 ' O ' HG12 ' A' ' 146' ' ' VAL . 0.2 OUTLIER -87.12 -28.72 22.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 111.036 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.66 ' HB3' ' HA ' ' A' ' 140' ' ' ILE . 6.4 t80 -80.51 -20.17 44.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . 0.788 ' N ' ' O ' ' A' ' 140' ' ' ILE . 2.5 tm-20 -48.67 -50.34 33.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.07 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 0.0 OUTLIER 169.19 41.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.922 HG12 ' O ' ' A' ' 142' ' ' TYR . 0.9 OUTLIER -87.68 -11.02 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 147.88 -40.61 0.95 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.443 1.089 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . 0.461 ' CG ' ' N ' ' A' ' 149' ' ' THR . 0.0 OUTLIER 55.42 168.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.757 HG22 ' N ' ' A' ' 150' ' ' SER . 0.6 OUTLIER -158.68 -72.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.475 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.757 ' N ' HG22 ' A' ' 149' ' ' THR . 9.9 t -159.98 34.23 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.009 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.974 HD11 HD11 ' A' ' 139' ' ' LEU . 0.2 OUTLIER -138.86 112.55 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . 0.58 ' OD1' ' CZ ' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -125.21 168.76 12.69 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . 0.613 ' O ' ' CE2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -74.98 -6.0 17.51 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -100.91 -13.26 18.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.04 18.6 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.834 ' CE1' ' CE1' ' A' ' 158' ' ' PHE . 0.0 OUTLIER -55.54 -172.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.928 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.565 ' O ' HG23 ' A' ' 159' ' ' THR . 0.0 OUTLIER -124.51 0.42 8.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.834 ' CE1' ' CE1' ' A' ' 156' ' ' PHE . 0.1 OUTLIER -38.36 103.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 111.056 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . 1.086 ' OG1' HG21 ' A' ' 123' ' ' VAL . 0.7 OUTLIER -108.8 -95.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.396 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.794 ' HB ' HD11 ' A' ' 109' ' ' LEU . 10.6 p -49.53 -38.63 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.489 ' HB ' ' H ' ' A' ' 123' ' ' VAL . 8.3 t -91.42 -23.97 19.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.411 1.069 . . . . 0.0 110.375 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . 0.458 ' CA ' ' HB2' ' A' ' 158' ' ' PHE . . . -70.41 -41.95 66.0 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -76.31 -24.17 54.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.15 . . . . 0.0 110.965 179.942 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 105' ' ' TRP . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.717 ' CE3' ' O ' ' A' ' 126' ' ' ILE . 1.8 p-90 178.77 152.91 0.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.542 ' N ' ' CE3' ' A' ' 105' ' ' TRP . 1.6 p -152.47 169.18 23.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -95.81 120.2 35.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.636 ' N ' ' O ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -107.84 138.05 44.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.999 HD11 ' HB ' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -94.94 143.37 26.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.458 ' HG3' ' CB ' ' A' ' 122' ' ' ASP . 0.0 OUTLIER -131.89 167.87 18.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.579 ' HB2' ' CE2' ' A' ' 121' ' ' TYR . 35.3 tt0 -95.23 135.52 36.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.344 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER 162.52 135.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.267 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -152.09 -77.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.395 1.059 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 115' ' ' GLY . 25.6 t -179.05 36.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 117' ' ' SER . . . 43.64 -168.53 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? 62.7 -76.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.4 0.706 . . . . 0.0 110.347 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 115' ' ' GLY . 35.4 t -132.41 51.79 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 110.059 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 113' ' ' LYS . . . -55.78 -104.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 92.62 -54.99 2.7 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.39 144.18 44.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 0.808 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.592 ' O ' HG22 ' A' ' 160' ' ' VAL . 3.0 m-85 -101.96 -174.14 2.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.561 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 0.1 OUTLIER -119.0 155.91 30.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.367 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 1.054 HG23 HG12 ' A' ' 160' ' ' VAL . 0.9 OUTLIER -101.18 149.44 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.713 ' CE2' ' HB3' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -136.47 120.5 17.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 110.999 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.998 HD11 ' O ' ' A' ' 157' ' ' ASP . 63.3 mt -105.4 116.63 32.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.721 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 2.4 mt -92.03 149.41 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.641 ' ND2' ' CE2' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -102.83 178.47 1.19 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.211 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 127' ' ' ASN . 18.4 Cg_endo -75.01 44.81 1.23 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.51 1.794 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.417 ' H ' ' C ' ' A' ' 127' ' ' ASN . 39.5 mt-30 -145.9 -45.66 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 143.5 -15.61 2.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.721 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 5.9 ttmt -68.41 146.76 52.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.713 ' HB3' ' CE2' ' A' ' 124' ' ' TYR . . . -122.19 131.06 53.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.641 ' CE2' ' ND2' ' A' ' 127' ' ' ASN . 12.4 m-85 -96.53 125.01 40.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.573 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 4.0 mtp-105 -81.93 -19.87 39.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.985 ' OG ' HG12 ' A' ' 137' ' ' VAL . 39.0 t -143.35 151.66 40.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.945 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.587 ' HD2' ' CE1' ' A' ' 156' ' ' PHE . 12.7 ttpt -64.13 -25.62 68.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.985 HG12 ' OG ' ' A' ' 135' ' ' SER . 2.3 p -57.84 -46.67 87.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.14 -23.95 57.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.576 HD11 ' CD1' ' A' ' 151' ' ' LEU . 12.6 tp -59.23 -48.93 79.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.758 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -60.39 -46.27 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.376 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -44.16 -47.75 9.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . 0.942 ' O ' HG12 ' A' ' 146' ' ' VAL . 0.1 OUTLIER -82.49 -29.12 30.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.611 1.195 . . . . 0.0 110.937 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.528 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -81.26 -21.57 39.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . 0.758 ' N ' ' O ' ' A' ' 140' ' ' ILE . 0.2 OUTLIER -50.16 -52.5 34.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.645 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 0.0 OUTLIER 172.2 58.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.942 HG12 ' O ' ' A' ' 142' ' ' TYR . 1.4 p -106.15 -11.61 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 92.96 45.0 3.71 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.66 161.21 13.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.603 HG22 ' O ' ' A' ' 149' ' ' THR . 0.3 OUTLIER -162.49 102.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.435 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.42 ' OG ' ' CD1' ' A' ' 105' ' ' TRP . 10.2 t 169.73 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.687 HD22 ' CE2' ' A' ' 105' ' ' TRP . 0.7 OUTLIER -98.84 134.99 40.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . 0.415 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . 0.3 OUTLIER -124.43 173.52 4.62 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 152' ' ' ASP . 18.3 Cg_endo -74.93 -3.18 13.53 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.515 1.798 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.47 -5.28 27.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.4 33.49 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.587 ' CE1' ' HD2' ' A' ' 136' ' ' LYS . 54.7 p90 -70.88 -160.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.998 ' O ' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -146.06 160.68 41.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.701 ' CD1' ' O ' ' A' ' 158' ' ' PHE . 0.1 OUTLIER 177.46 111.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 110.986 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . 0.923 ' H ' HG21 ' A' ' 123' ' ' VAL . 24.8 p -106.8 -92.33 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 1.054 HG12 HG23 ' A' ' 123' ' ' VAL . 9.3 p -49.02 -21.62 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.358 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.547 HG22 ' CG1' ' A' ' 123' ' ' VAL . 1.7 t -117.94 20.14 13.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . 0.647 ' CA ' ' CD2' ' A' ' 158' ' ' PHE . . . -137.13 -134.42 3.27 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -11.78 59.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 0.812 . . . . 0.0 110.309 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.789 ' HE1' HD22 ' A' ' 151' ' ' LEU . 0.0 OUTLIER -45.64 129.92 8.94 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 105' ' ' TRP . 1.6 p -158.41 174.63 14.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.429 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.507 ' HB2' ' CD2' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -90.94 129.4 36.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 110.339 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.603 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -117.94 125.68 50.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.851 HD11 ' HB ' ' A' ' 160' ' ' VAL . 0.7 OUTLIER -95.08 141.62 28.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 122' ' ' ASP . 0.7 OUTLIER -160.0 150.08 18.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -100.7 136.95 39.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.227 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.15 57.28 1.06 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -61.77 122.22 14.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.41 38.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.964 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 116' ' ' ARG . . . 73.6 -56.57 2.08 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 115' ' ' GLY . 0.2 OUTLIER -37.87 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 0.773 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.7 t -126.66 74.12 1.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.965 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -101.64 126.36 48.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 148.46 -63.26 0.42 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.58 151.46 21.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 0.777 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.764 ' HB2' HD21 ' A' ' 109' ' ' LEU . 17.8 m-85 -80.28 -167.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.576 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 0.3 OUTLIER -147.74 152.02 37.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.769 HG23 HG12 ' A' ' 160' ' ' VAL . 1.2 t -102.46 147.23 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.855 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -132.54 122.39 24.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.967 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.507 ' CD2' ' HB2' ' A' ' 107' ' ' ARG . 50.0 mt -97.44 113.19 24.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.632 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 2.6 mt -92.01 119.98 40.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 109.219 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.586 ' HB2' ' HD2' ' A' ' 128' ' ' PRO . 4.1 p-10 -70.7 176.47 1.94 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.586 ' HD2' ' HB2' ' A' ' 127' ' ' ASN . 17.8 Cg_endo -75.05 53.1 3.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.541 1.811 . . . . 0.0 110.968 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.435 ' HB2' ' OD1' ' A' ' 127' ' ' ASN . 25.1 mt-30 -153.26 -44.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 141.88 -15.28 2.62 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.65 ' CD ' ' CE1' ' A' ' 142' ' ' TYR . 0.0 OUTLIER -72.68 138.28 46.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.855 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -104.46 147.89 27.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 127' ' ' ASN . 25.5 m-85 -118.77 125.73 50.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 111.047 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.479 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 17.1 mtp180 -99.25 -7.61 26.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.525 ' HB2' HG12 ' A' ' 137' ' ' VAL . 36.5 p -141.38 147.22 37.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.973 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.665 ' CD ' ' CE2' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -63.46 -29.46 70.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' A' ' 135' ' ' SER . 0.5 OUTLIER -60.46 -48.16 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.57 -22.87 62.36 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.547 1.155 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.638 ' HG ' ' CE2' ' A' ' 143' ' ' PHE . 12.0 tp -60.3 -50.5 73.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.229 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.703 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -70.67 -42.49 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -46.58 -48.54 19.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.382 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . 0.65 ' CE1' ' CD ' ' A' ' 131' ' ' LYS . 0.3 OUTLIER -83.88 -28.3 28.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.699 ' HB2' ' HA ' ' A' ' 140' ' ' ILE . 6.6 m-30 -79.61 -21.43 44.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.142 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . 0.703 ' N ' ' O ' ' A' ' 140' ' ' ILE . 1.0 OUTLIER -57.15 -28.5 62.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 0.0 110.305 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 146' ' ' VAL . 0.4 OUTLIER -94.1 -48.85 6.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.666 HG12 ' HA ' ' A' ' 143' ' ' PHE . 7.5 p -84.64 12.06 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.687 ' N ' ' O ' ' A' ' 143' ' ' PHE . . . 37.58 38.7 0.47 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . 0.589 ' HB2' ' CD2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER 56.92 163.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 0.726 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 149' ' ' THR . 0.3 OUTLIER -160.17 103.98 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.42 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 149' ' ' THR . 1.4 t 85.9 -56.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.789 HD22 ' HE1' ' A' ' 105' ' ' TRP . 0.3 OUTLIER -107.59 137.67 45.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . 0.479 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . 0.4 OUTLIER -126.28 177.07 2.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 152' ' ' ASP . 18.3 Cg_endo -74.96 -5.08 16.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.787 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -104.26 -7.51 20.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -147.24 42.0 1.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.665 ' CE2' ' CD ' ' A' ' 136' ' ' LYS . 7.0 p90 -77.22 -169.8 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.498 ' HB3' ' CD2' ' A' ' 125' ' ' LEU . 10.0 t0 -107.54 -99.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.749 ' HA ' HG11 ' A' ' 123' ' ' VAL . 68.4 m-85 57.24 104.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . 0.719 ' OG1' ' N ' ' A' ' 160' ' ' VAL . 1.2 p -112.08 -82.78 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.851 ' HB ' HD11 ' A' ' 109' ' ' LEU . 14.7 p -50.5 -39.98 18.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.473 ' HB ' ' H ' ' A' ' 123' ' ' VAL . 15.4 t -95.41 -22.95 17.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . 0.534 ' HA3' ' O ' ' A' ' 158' ' ' PHE . . . -75.13 -3.57 69.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.67 -9.65 59.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.404 ' O ' ' HA ' ' A' ' 128' ' ' PRO . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.613 ' CH2' ' CG ' ' A' ' 157' ' ' ASP . 0.0 OUTLIER -179.03 111.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.508 ' N ' ' CE3' ' A' ' 105' ' ' TRP . 6.9 t -152.54 146.54 25.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.612 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 5.5 ptp180 -94.75 128.26 41.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.611 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -111.71 122.76 48.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.829 HD21 ' HB2' ' A' ' 121' ' ' TYR . 2.2 tt -97.88 143.17 28.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.425 1.078 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.554 ' N ' HD23 ' A' ' 109' ' ' LEU . 4.0 mtpt -152.01 -174.67 4.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -93.58 128.64 39.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.327 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -60.23 2.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.9 156.6 45.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.92 39.56 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.954 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 116' ' ' ARG . . . 174.94 -73.4 0.08 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.606 1.191 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 115' ' ' GLY . 0.2 OUTLIER -38.94 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 0.784 . . . . 0.0 110.252 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 118' ' ' ALA . 47.8 t -127.87 39.53 3.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.977 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 117' ' ' SER . . . -39.91 139.0 0.71 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.2 -109.84 0.25 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.76 148.09 27.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.829 ' HB2' HD21 ' A' ' 109' ' ' LEU . 40.0 m-85 -53.22 -171.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.562 ' O ' ' HA ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -139.28 153.53 47.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.977 HG21 ' OG1' ' A' ' 159' ' ' THR . 1.0 OUTLIER -111.38 150.19 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.799 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -129.82 122.25 28.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 111.033 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.809 HD13 ' OD2' ' A' ' 157' ' ' ASP . 66.0 mt -92.84 113.01 25.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.542 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 4.5 mt -94.37 123.39 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.545 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 1.0 OUTLIER -77.07 -179.97 1.4 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 127' ' ' ASN . 18.4 Cg_endo -75.02 1.51 7.67 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.564 1.823 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.41 -12.35 16.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.247 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 98.76 15.1 35.09 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.1 OUTLIER -93.94 124.69 38.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.799 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -94.25 140.85 29.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.842 ' CE1' ' CD2' ' A' ' 142' ' ' TYR . 6.3 m-85 -116.52 125.62 52.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.531 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 8.2 mtm180 -98.32 -9.43 25.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.204 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.4 t -142.5 148.1 37.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.974 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.579 ' HG3' ' CD1' ' A' ' 156' ' ' PHE . 1.2 tttm -63.94 -30.88 71.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 1.9 p -59.55 -46.49 92.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.599 ' O ' ' CD2' ' A' ' 142' ' ' TYR . 0.1 OUTLIER -62.63 -22.76 66.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.724 HD23 ' HA ' ' A' ' 153' ' ' PRO . 14.3 tp -58.23 -49.31 77.54 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.714 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -63.99 -48.0 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -48.98 -48.23 43.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . 0.842 ' CD2' ' CE1' ' A' ' 133' ' ' PHE . 35.5 m-85 -78.89 -29.21 44.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.742 ' O ' ' N ' ' A' ' 147' ' ' GLY . 5.5 m-30 -81.24 -22.91 38.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . 0.714 ' N ' ' O ' ' A' ' 140' ' ' ILE . 1.1 tm-20 -55.37 -29.02 57.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.499 ' CG ' ' N ' ' A' ' 146' ' ' VAL . 0.0 OUTLIER -89.82 -51.93 5.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.203 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.499 ' N ' ' CG ' ' A' ' 145' ' ' LYS . 12.3 p -84.61 12.46 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.742 ' N ' ' O ' ' A' ' 143' ' ' PHE . . . 37.7 32.46 0.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . 0.599 ' HB2' ' CD2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER 64.82 157.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.77 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 149' ' ' THR . 0.3 OUTLIER -156.48 105.96 2.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.439 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 149' ' ' THR . 0.1 OUTLIER 82.52 -71.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.415 HD23 ' H ' ' A' ' 151' ' ' LEU . 0.6 OUTLIER -82.26 128.72 34.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 155' ' ' ASP . 11.0 p30 -102.13 156.41 35.27 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . 0.724 ' HA ' HD23 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -74.94 -15.97 20.6 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.609 1.847 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -80.63 -12.46 59.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . 0.464 ' N ' ' OD2' ' A' ' 152' ' ' ASP . 0.3 OUTLIER -151.74 30.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.671 ' CZ ' ' HB3' ' A' ' 158' ' ' PHE . 5.7 p90 -48.85 146.94 2.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.809 ' OD2' HD13 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -61.94 79.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.944 ' CD1' ' O ' ' A' ' 158' ' ' PHE . 0.1 OUTLIER -95.8 114.67 26.43 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . 0.977 ' OG1' HG21 ' A' ' 123' ' ' VAL . 1.1 p -108.6 -112.73 0.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.726 HG11 ' HG ' ' A' ' 109' ' ' LEU . 10.3 p -51.96 -38.19 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.47 ' HB ' ' H ' ' A' ' 123' ' ' VAL . 8.7 t -93.53 13.85 20.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 0.0 110.419 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . 0.622 ' CA ' ' CD2' ' A' ' 158' ' ' PHE . . . -115.18 -98.85 2.21 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -25.03 51.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 160' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TRP . . . . . 0.719 ' CE2' HD12 ' A' ' 151' ' ' LEU . 2.2 t90 -78.24 140.03 38.9 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 105' ' ' TRP . 21.7 p -158.88 143.09 15.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.523 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -93.94 124.79 38.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.64 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -114.27 122.33 46.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.941 HD21 ' CB ' ' A' ' 121' ' ' TYR . 5.8 tt -96.64 143.93 27.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.704 ' N ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -159.62 150.42 19.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -100.92 136.66 40.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -40.66 -47.17 2.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 114' ' ' SER . 0.4 OUTLIER 62.72 135.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.183 . . . . 0.0 109.24 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 0.5 OUTLIER 160.65 -32.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.043 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 102.24 -43.16 1.75 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.455 1.097 . . . . 0.0 111.051 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -38.53 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 110.324 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.4 t -126.98 70.18 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -96.24 138.38 33.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 173.73 -56.4 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -97.56 153.59 18.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.979 ' HB2' HG21 ' A' ' 160' ' ' VAL . 0.9 OUTLIER -103.61 -166.03 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.404 1.065 . . . . 0.0 111.027 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.631 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 1.3 t70 -148.71 143.68 26.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.785 HG21 ' OG1' ' A' ' 159' ' ' THR . 1.1 t -103.25 135.99 38.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.756 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -115.8 124.76 51.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.704 HD12 ' CE2' ' A' ' 158' ' ' PHE . 50.5 mt -95.28 114.02 25.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ILE . . . . . 0.751 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 4.9 mt -90.6 118.55 36.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASN . . . . . 0.744 ' HB2' ' CD ' ' A' ' 128' ' ' PRO . 4.5 p30 -88.87 -170.16 0.24 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.768 ' O ' ' CB ' ' A' ' 129' ' ' GLN . 18.3 Cg_endo -74.95 123.67 8.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.768 ' CB ' ' O ' ' A' ' 128' ' ' PRO . 24.0 mt-30 117.93 -12.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 110.222 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 100.4 12.35 38.91 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.396 1.06 . . . . 0.0 111.068 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . 0.751 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 1.8 ttmt -79.11 145.66 33.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 0.796 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.756 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -121.26 152.77 38.5 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 138' ' ' GLU . 13.2 m-85 -128.05 125.48 39.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ARG . . . . . 0.511 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 2.6 mtp-105 -102.34 1.15 35.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . 0.479 ' HB3' HG12 ' A' ' 137' ' ' VAL . 0.4 OUTLIER -141.79 147.83 37.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.058 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 158' ' ' PHE . 12.9 ttpt -68.73 -21.01 64.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.479 HG12 ' HB3' ' A' ' 135' ' ' SER . 2.4 p -66.22 -44.91 91.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.57 ' HB3' ' CD1' ' A' ' 133' ' ' PHE . 2.5 tp10 -60.67 -24.01 65.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.322 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 143' ' ' PHE . 10.9 tp -62.39 -49.02 77.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ILE . . . . . 0.771 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -62.37 -44.66 99.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -42.7 -50.52 5.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . 0.963 ' CD2' HG11 ' A' ' 146' ' ' VAL . 0.2 OUTLIER -89.02 -28.6 20.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.702 ' HB3' ' HA ' ' A' ' 140' ' ' ILE . 45.9 t80 -78.3 -20.59 51.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . 0.771 ' N ' ' O ' ' A' ' 140' ' ' ILE . 4.9 tm-20 -49.89 -50.59 45.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' LYS . . . . . 0.594 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 0.0 OUTLIER 170.23 49.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' VAL . . . . . 0.963 HG11 ' CD2' ' A' ' 142' ' ' TYR . 1.3 p -96.5 -10.98 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 110.44 48.32 0.76 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.147 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ASP . . . . . 0.546 ' OD2' HG12 ' A' ' 146' ' ' VAL . 44.3 m-20 -129.59 115.97 18.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 0.805 . . . . 0.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 149' ' ' THR . 0.6 OUTLIER -126.43 105.58 8.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.454 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 149' ' ' THR . 3.8 t 161.85 -66.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.127 . . . . 0.0 110.015 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' LEU . . . . . 0.886 HD11 ' OD1' ' A' ' 157' ' ' ASP . 2.2 mt -84.5 139.54 32.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . 0.518 ' HA ' ' CE1' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -127.96 154.87 78.37 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -6.05 17.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.791 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' A' ' 155' ' ' ASP . 14.7 t30 -97.09 -10.27 26.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 154' ' ' ASN . 0.8 OUTLIER -154.02 44.15 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.264 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.595 ' HA ' HD22 ' A' ' 151' ' ' LEU . 7.6 p90 -54.96 -169.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.886 ' OD1' HD11 ' A' ' 151' ' ' LEU . 58.4 m-20 -112.7 -14.01 13.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.704 ' CE2' HD12 ' A' ' 125' ' ' LEU . 70.0 m-85 -44.24 117.56 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' THR . . . . . 0.785 ' OG1' HG21 ' A' ' 123' ' ' VAL . 61.8 p -110.08 -86.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.979 HG21 ' HB2' ' A' ' 121' ' ' TYR . 6.2 p -50.22 -27.22 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.067 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' THR . . . . . 0.573 HG21 ' O ' ' A' ' 123' ' ' VAL . 7.3 t -120.38 21.52 11.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' GLY . . . . . 0.496 ' HA3' ' O ' ' A' ' 158' ' ' PHE . . . -138.19 -77.42 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.427 1.079 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.0 -11.06 59.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 0.769 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -177.93 3.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 110.981 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.13 156.17 2.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.601 HG23 ' HD2' ' A' ' 76' ' ' PRO . 2.8 p -171.65 140.46 1.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.601 ' HD2' HG23 ' A' ' 75' ' ' VAL . 18.3 Cg_endo -75.02 -47.84 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.455 1.766 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 72.36 -179.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 55.19 65.26 1.54 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 39.8 t -169.93 88.12 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.973 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 81' ' ' SER . . . -158.94 149.03 19.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 80' ' ' ALA . 0.6 OUTLIER 37.8 74.35 0.64 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 109.984 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 64.16 6.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm 66.24 152.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -128.42 -44.98 1.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 66.38 30.46 8.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 110.344 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.3 ttt180 -94.67 141.19 28.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.54 169.71 23.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 110.008 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.1 mp -94.2 91.16 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.434 HD12 ' O ' ' A' ' 90' ' ' ARG . 1.5 pp -61.33 174.34 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.434 ' O ' HD12 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -98.54 171.85 7.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -57.95 109.54 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 39.27 55.55 2.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 58.58 162.67 0.06 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 169.62 22.22 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.538 1.81 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 2.1 mtt -97.23 -23.84 15.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 110.964 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -70.26 -166.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -69.49 -153.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.501 ' N ' ' CD ' ' A' ' 99' ' ' PRO . 0.1 OUTLIER 163.59 -52.19 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 98' ' ' ASP . 18.3 Cg_endo -75.03 82.36 2.03 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.494 1.787 . . . . 0.0 111.042 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 77.4 p -121.72 -136.35 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.393 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.634 ' H ' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -94.71 158.26 35.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.16 . . . . 0.0 109.322 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 84.02 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 177.07 -49.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 165.94 -127.93 1.69 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.934 ' CH2' HD21 ' A' ' 151' ' ' LEU . 2.0 t90 63.96 125.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.605 ' O ' HD12 ' A' ' 126' ' ' ILE . 1.7 m -159.02 149.91 19.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.413 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.484 ' CZ ' ' HB3' ' A' ' 107' ' ' ARG . 1.3 ttp85 -94.71 126.6 40.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.769 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -115.69 136.0 53.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.315 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.945 HD21 ' CB ' ' A' ' 121' ' ' TYR . 6.4 tt -112.63 143.74 43.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.442 1.088 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.885 ' N ' HD23 ' A' ' 109' ' ' LEU . 2.8 mmtt -151.42 -179.76 7.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.353 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -85.42 136.33 33.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.7 tpt85 -93.67 40.92 1.08 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.503 ' O ' ' CB ' ' A' ' 114' ' ' SER . 0.9 OUTLIER -43.9 165.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 1.1 t 86.0 46.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.098 . . . . 0.0 110.054 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 117' ' ' SER . . . -145.55 51.45 0.6 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.515 1.135 . . . . 0.0 110.985 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.4 mtt85 65.52 -73.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 110.27 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.44 ' N ' ' O ' ' A' ' 115' ' ' GLY . 42.5 t -127.35 23.33 6.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.984 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . 39.63 -154.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 166.41 -109.1 0.34 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 10.6 mmtm -76.9 152.86 35.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.945 ' CB ' HD21 ' A' ' 109' ' ' LEU . 12.5 m-85 -70.07 -159.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.646 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 0.3 OUTLIER -148.11 141.39 25.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.879 HG21 ' OG1' ' A' ' 159' ' ' THR . 1.2 t -97.6 148.46 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.819 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -131.21 123.96 29.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 111.037 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.522 HD21 ' HB2' ' A' ' 157' ' ' ASP . 81.6 mt -98.67 113.92 26.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.652 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 2.9 mt -92.47 122.78 44.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.468 ' ND2' ' HD2' ' A' ' 128' ' ' PRO . 0.5 OUTLIER -72.32 175.22 3.34 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.623 ' HD3' ' CE3' ' A' ' 105' ' ' TRP . 18.2 Cg_endo -74.99 62.08 5.78 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.497 1.788 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.411 ' HG2' ' H ' ' A' ' 131' ' ' LYS . 0.0 OUTLIER -169.86 -38.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.451 1.094 . . . . 0.0 110.279 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 137.74 -7.46 3.58 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.536 1.147 . . . . 0.0 110.972 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.652 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -72.23 127.49 32.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.819 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -101.72 147.14 26.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.459 ' CD2' ' O ' ' A' ' 125' ' ' LEU . 31.1 m-85 -116.35 123.94 48.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.6 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 4.7 mtm180 -109.66 -4.7 15.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 0.0 110.256 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.553 ' HB3' HG12 ' A' ' 137' ' ' VAL . 72.7 m -141.28 146.56 36.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -63.23 -19.74 64.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.16 . . . . 0.0 109.274 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.553 HG12 ' HB3' ' A' ' 135' ' ' SER . 0.2 OUTLIER -70.29 -50.34 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -59.87 -23.19 63.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.863 HD11 ' CZ ' ' A' ' 143' ' ' PHE . 11.4 tp -61.84 -50.13 73.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.756 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.2 OUTLIER -61.08 -46.12 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -41.6 -49.52 4.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.292 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.787 ' O ' HG12 ' A' ' 146' ' ' VAL . 2.0 m-85 -89.77 -31.55 17.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.863 ' CZ ' HD11 ' A' ' 139' ' ' LEU . 3.3 m-85 -75.72 -19.29 59.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.756 ' N ' ' O ' ' A' ' 140' ' ' ILE . 0.8 OUTLIER -47.04 -50.18 19.93 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.14 . . . . 0.0 110.294 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.538 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 3.5 ptmt 177.61 57.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.787 HG12 ' O ' ' A' ' 142' ' ' TYR . 0.8 OUTLIER -109.63 -10.22 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 142.43 -70.59 0.42 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.463 1.102 . . . . 0.0 111.041 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . 0.437 ' OD1' ' HA ' ' A' ' 143' ' ' PHE . 70.7 m-20 58.51 161.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.762 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.676 HG22 ' N ' ' A' ' 150' ' ' SER . 0.7 OUTLIER -106.23 -69.94 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.376 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.676 ' N ' HG22 ' A' ' 149' ' ' THR . 46.4 t -169.16 51.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.934 HD21 ' CH2' ' A' ' 105' ' ' TRP . 0.5 OUTLIER -141.33 132.94 27.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.508 ' OD1' ' CB ' ' A' ' 154' ' ' ASN . 2.4 p-10 -103.84 166.36 11.82 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 152' ' ' ASP . 18.3 Cg_endo -74.99 -19.68 17.63 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.528 1.804 . . . . 0.0 110.981 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.508 ' CB ' ' OD1' ' A' ' 152' ' ' ASP . 7.9 t30 -72.74 -8.65 56.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.441 ' N ' ' OD2' ' A' ' 152' ' ' ASP . 6.8 t70 -153.55 50.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' A' ' 158' ' ' PHE . 2.9 p90 -48.87 -177.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.59 ' OD1' HD13 ' A' ' 151' ' ' LEU . 9.7 m-20 -104.77 -9.11 18.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.675 ' HA ' HG11 ' A' ' 123' ' ' VAL . 5.7 m-30 -46.44 124.22 5.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . 0.879 ' OG1' HG21 ' A' ' 123' ' ' VAL . 72.5 p -110.51 -85.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.941 HG21 ' HB2' ' A' ' 121' ' ' TYR . 6.1 p -51.9 -27.52 8.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.5 ' HB ' ' H ' ' A' ' 123' ' ' VAL . 9.3 t -119.08 20.46 12.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.398 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . 0.513 ' HA3' ' O ' ' A' ' 158' ' ' PHE . . . -131.84 -76.2 0.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.21 -10.51 59.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.22 -105.56 3.29 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.469 1.106 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.45 119.63 69.61 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 0.796 . . . . 0.0 110.027 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -48.89 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 5.3 t -45.87 -70.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.957 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.62 -160.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.148 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.23 179.4 0.34 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 110.354 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 75.4 120.15 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -146.37 153.83 40.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -138.47 149.18 61.92 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 174' ' ' PRO . 18.5 Cg_endo -74.93 154.88 43.16 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.498 1.788 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 173' ' ' PRO . 18.2 Cg_endo -75.04 -162.24 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.481 1.779 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.36 92.15 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.59 154.1 18.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -109.62 -174.85 2.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.34 165.49 23.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 63.5 p -172.1 115.11 0.4 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 110.018 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 157.83 42.42 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.445 1.761 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.16 113.97 2.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.0 95.07 0.21 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.024 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -52.35 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.457 1.767 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . 0.496 ' O ' ' CB ' ' A' ' 185' ' ' SER . . . 149.83 -127.84 2.54 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.569 1.168 . . . . 0.0 111.025 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 184' ' ' GLY . 1.4 t 84.73 87.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 0.0 109.97 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -157.06 158.48 28.89 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.68 173.43 6.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 110.324 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 151.56 118.36 0.8 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.499 1.124 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.11 -67.5 0.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 0.787 . . . . 0.0 110.292 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . 103.61 168.04 25.46 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.8 164.71 30.71 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 110.249 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 119.86 5.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.491 1.785 . . . . 0.0 110.998 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.08 122.84 17.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . -92.92 -89.19 1.56 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.466 1.103 . . . . 0.0 111.027 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 36.5 m -101.65 97.96 8.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 0.777 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.455 1.097 . . . . 0.0 110.931 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 176.48 9.85 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.511 1.795 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.68 115.73 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -164.51 115.73 0.94 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -65.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.476 1.777 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 47.59 78.08 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.163 . . . . 0.0 110.265 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -139.85 156.08 46.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.18 82.34 0.36 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.529 1.143 . . . . 0.0 109.983 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -140.44 175.42 9.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.347 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.36 168.95 15.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 158.83 41.86 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -124.67 158.15 33.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.567 1.167 . . . . 0.0 109.33 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 58.95 154.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.79 23.22 4.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.49 124.49 22.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.89 -162.73 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.034 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -130.95 -74.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.451 ' CG1' ' H ' ' A' ' 90' ' ' ARG . 0.6 OUTLIER -149.2 -163.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.332 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.451 ' H ' ' CG1' ' A' ' 89' ' ' ILE . 3.5 tmm_? -143.78 -58.81 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.288 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.86 142.37 4.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.243 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -114.97 92.3 3.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 110.264 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -150.98 72.98 0.28 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 138.83 23.66 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.522 1.801 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.76 178.78 7.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -143.48 30.66 1.36 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 98' ' ' ASP . 15.3 m-20 -151.46 174.25 13.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 97' ' ' ASP . 16.8 t0 38.98 73.86 0.74 Allowed Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.431 1.082 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.415 ' C ' HG22 ' A' ' 100' ' ' THR . 18.4 Cg_endo -74.96 74.24 4.04 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.486 1.782 . . . . 0.0 111.035 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.537 ' O ' ' C ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER 179.21 110.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.413 1.071 . . . . 0.0 110.451 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.924 HD21 ' O ' ' A' ' 128' ' ' PRO . 1.9 mt 29.2 60.89 0.78 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.414 1.071 . . . . 0.0 109.316 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.491 ' HD3' ' N ' ' A' ' 101' ' ' LEU . 18.1 Cg_endo -75.01 3.81 5.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.469 1.773 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.413 ' CD ' ' O ' ' A' ' 102' ' ' PRO . 0.1 OUTLIER 169.24 -36.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.283 179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.463 ' O ' ' CB ' ' A' ' 105' ' ' TRP . . . -167.27 -59.77 0.03 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.49 1.119 . . . . 0.0 111.057 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.609 ' CD1' ' C ' ' A' ' 105' ' ' TRP . 0.0 OUTLIER 164.66 124.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.483 HG22 ' H ' ' A' ' 107' ' ' ARG . 11.4 m -153.5 173.75 15.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.121 . . . . 0.0 110.38 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.548 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -91.49 128.9 37.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.713 ' HZ1' HD12 ' A' ' 126' ' ' ILE . 0.0 OUTLIER -111.15 125.87 54.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.926 HD21 ' CB ' ' A' ' 121' ' ' TYR . 6.3 tt -102.78 143.27 32.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.801 ' N ' HD23 ' A' ' 109' ' ' LEU . 2.3 mtpt -153.04 171.96 17.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.463 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 1.8 mt-30 -87.11 130.98 34.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.26 8.82 40.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.486 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 6.9 ttpt -41.6 -78.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER 39.08 29.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.487 1.117 . . . . 0.0 110.03 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 113' ' ' LYS . . . -148.38 -91.08 0.09 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.25 -70.32 0.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.44 0.729 . . . . 0.0 110.279 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 118' ' ' ALA . 47.0 t -128.77 48.95 2.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.486 ' HB2' ' HA ' ' A' ' 113' ' ' LYS . . . -37.09 -88.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 173.05 -101.68 0.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.592 1.183 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.455 ' O ' ' O ' ' A' ' 121' ' ' TYR . 0.2 OUTLIER -103.11 155.97 18.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.43 0.724 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.926 ' CB ' HD21 ' A' ' 109' ' ' LEU . 8.1 m-85 -55.94 -155.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.559 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 0.3 OUTLIER -148.76 150.15 32.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 1.013 HG21 ' OG1' ' A' ' 159' ' ' THR . 1.2 t -108.54 148.97 12.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.763 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -133.66 123.02 24.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 110.981 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.56 HD21 ' OD1' ' A' ' 157' ' ' ASP . 55.3 mt -96.51 114.12 25.75 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 109.252 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.713 HD12 ' HZ1' ' A' ' 108' ' ' LYS . 10.0 mt -95.85 119.93 44.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.352 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.519 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 1.0 OUTLIER -70.71 179.25 0.91 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.924 ' O ' HD21 ' A' ' 101' ' ' LEU . 18.3 Cg_endo -74.99 2.99 6.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.556 1.819 . . . . 0.0 110.976 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.739 ' O ' HD11 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -104.03 -22.51 13.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 111.37 10.02 20.65 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.595 1.185 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.584 ' HG2' ' CE1' ' A' ' 133' ' ' PHE . 1.1 ttmt -90.01 124.35 34.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.763 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -94.65 139.24 31.48 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.584 ' CE1' ' HG2' ' A' ' 131' ' ' LYS . 26.8 m-85 -113.93 125.53 54.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 111.005 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 1.6 mtm180 -99.13 -7.61 26.39 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.48 ' HB3' ' CG1' ' A' ' 137' ' ' VAL . 0.4 OUTLIER -141.58 147.74 38.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.049 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.663 ' CD ' ' CE2' ' A' ' 156' ' ' PHE . 12.0 ttpt -66.51 -21.75 66.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.087 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.48 ' CG1' ' HB3' ' A' ' 135' ' ' SER . 2.3 p -67.04 -46.86 83.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -24.27 65.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.924 HD11 HD21 ' A' ' 151' ' ' LEU . 11.9 tp -60.36 -48.77 80.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.774 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -61.77 -44.79 99.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -44.56 -49.89 9.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.855 ' O ' HG12 ' A' ' 146' ' ' VAL . 0.1 OUTLIER -86.39 -28.97 23.27 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.46 1.1 . . . . 0.0 111.011 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.685 ' HB3' ' HA ' ' A' ' 140' ' ' ILE . 45.0 t80 -79.16 -21.28 46.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.95 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.774 ' N ' ' O ' ' A' ' 140' ' ' ILE . 0.8 OUTLIER -49.52 -45.4 47.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.358 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.609 ' CG ' ' O ' ' A' ' 145' ' ' LYS . 4.1 ttpt 162.08 66.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.855 HG12 ' O ' ' A' ' 142' ' ' TYR . 9.8 p -102.21 -8.03 9.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.12 3.4 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.441 1.088 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . 0.455 ' OD1' ' ND2' ' A' ' 127' ' ' ASN . 48.5 m-20 -138.41 124.74 20.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 0.791 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 149' ' ' THR . 0.6 OUTLIER -131.48 108.44 9.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.52 1.137 . . . . 0.0 110.397 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.9 t 169.78 -46.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.568 1.167 . . . . 0.0 109.993 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.924 HD21 HD11 ' A' ' 139' ' ' LEU . 0.2 OUTLIER -100.75 110.46 22.56 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.579 ' HB3' ' CZ ' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -107.45 178.74 1.01 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.616 ' O ' ' CD1' ' A' ' 156' ' ' PHE . 18.5 Cg_endo -74.96 -22.65 14.69 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.512 1.796 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -95.42 -13.23 24.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -100.25 -13.05 19.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.258 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.663 ' CE2' ' CD ' ' A' ' 136' ' ' LYS . 0.3 OUTLIER -52.28 142.64 16.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.979 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.56 ' OD1' HD21 ' A' ' 125' ' ' LEU . 1.2 p30 -85.94 -66.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.677 ' CD2' HG23 ' A' ' 161' ' ' THR . 0.6 OUTLIER 50.39 114.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . 1.013 ' OG1' HG21 ' A' ' 123' ' ' VAL . 0.1 OUTLIER -104.74 -96.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 110.396 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.989 HG12 HG23 ' A' ' 123' ' ' VAL . 13.7 p -49.86 -19.21 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.252 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.677 HG23 ' CD2' ' A' ' 158' ' ' PHE . 2.2 t -117.75 19.93 13.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.381 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . 0.495 ' HA3' ' HB3' ' A' ' 158' ' ' PHE . . . -127.4 -80.5 0.31 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.494 1.122 . . . . 0.0 110.987 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -10.94 59.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.319 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 106.0 -84.89 0.42 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.14 . . . . 0.0 111.011 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 67.1 m -100.51 141.84 23.46 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.512 0.772 . . . . 0.0 110.022 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -78.9 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.524 1.802 . . . . 0.0 110.981 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 55.42 168.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.155 . . . . 0.0 110.017 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.444 ' CG ' ' O ' ' A' ' 168' ' ' ARG . 1.7 ttm180 -176.27 58.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.62 172.11 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 110.25 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -175.37 107.41 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.19 154.37 50.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -178.35 87.19 0.23 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 149.75 37.12 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.479 1.779 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -164.34 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.423 1.749 . . . . 0.0 110.966 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.19 -175.44 4.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.97 -73.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . 62.97 128.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -155.75 114.02 3.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 109.252 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 33.0 t -129.02 111.69 18.46 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.034 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -178.27 4.06 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.442 1.759 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.27 177.23 3.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 109.247 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 1.2 m -143.15 143.44 24.7 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.443 1.089 . . . . 0.0 109.993 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 -77.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.54 1.811 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 112.84 175.64 19.48 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.39 170.1 3.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 0.739 . . . . 0.0 109.971 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -153.47 -151.91 5.87 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.422 1.076 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.99 169.87 18.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 0.799 . . . . 0.0 110.324 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -157.61 117.55 0.78 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.503 1.127 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . 0.451 ' CG ' ' N ' ' A' ' 190' ' ' GLY . 0.8 OUTLIER -117.98 -148.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 0.0 110.258 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' GLY . . . . . 0.451 ' N ' ' CG ' ' A' ' 189' ' ' ARG . . . -164.27 -117.5 0.41 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -150.88 137.86 11.67 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.448 0.734 . . . . 0.0 110.36 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.92 -179.04 4.57 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.502 1.791 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.16 -69.16 0.73 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.561 1.163 . . . . 0.0 109.348 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . 0.501 ' O ' ' CB ' ' A' ' 195' ' ' SER . . . 84.06 -143.65 21.38 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.466 1.104 . . . . 0.0 110.991 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 194' ' ' GLY . 1.5 p 85.97 122.24 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.536 0.786 . . . . 0.0 109.999 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -60.04 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -173.22 176.71 2.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.592 ' O ' HG22 ' A' ' 75' ' ' VAL . 2.0 p -147.1 68.31 11.32 Favored Pre-proline 0 C--N 1.323 -0.548 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 176.82 9.42 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.541 1.811 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.33 75.78 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 110.351 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.84 124.1 50.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.344 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 12.2 p -106.56 -58.65 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.954 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 64.14 169.41 0.17 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 88.9 p -157.97 90.76 2.26 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 110.063 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 132.87 15.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.011 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' GLN . 12.9 mmtt -92.62 148.76 21.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 109.249 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 83' ' ' LYS . 12.6 mp0 -38.86 150.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.274 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.09 41.85 1.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -102.0 105.38 16.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.14 35.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.021 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.582 ' O ' HG22 ' A' ' 88' ' ' ILE . 3.1 mt -105.32 60.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.74 HG23 ' H ' ' A' ' 90' ' ' ARG . 2.5 tt -44.88 -84.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.74 ' H ' HG23 ' A' ' 89' ' ' ILE . 0.2 OUTLIER 55.1 -158.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.31 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -148.34 109.35 4.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' A' ' 93' ' ' GLY . 0.0 OUTLIER -84.41 86.74 7.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.441 1.088 . . . . 0.0 110.28 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 92' ' ' ARG . . . 54.34 166.61 0.03 OUTLIER Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.554 1.159 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 89.4 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -109.56 -43.7 4.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 111.013 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -113.24 -170.73 1.74 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.447 ' OD2' ' N ' ' A' ' 97' ' ' ASP . 0.0 OUTLIER -103.95 -164.06 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.558 ' CB ' ' HD3' ' A' ' 99' ' ' PRO . 0.1 OUTLIER 172.41 -55.19 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.576 ' C ' HG22 ' A' ' 100' ' ' THR . 18.4 Cg_endo -74.98 55.16 3.85 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.467 1.772 . . . . 0.0 111.01 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.576 HG22 ' C ' ' A' ' 99' ' ' PRO . 0.0 OUTLIER 168.8 134.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.375 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.707 HD23 ' CH2' ' A' ' 105' ' ' TRP . 1.3 mm? -36.33 97.29 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.472 ' N ' ' O ' ' A' ' 100' ' ' THR . 18.1 Cg_endo -75.0 -2.06 12.04 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.521 1.801 . . . . 0.0 110.993 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -114.88 62.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 110.277 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 151.41 -74.89 0.25 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.035 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.707 ' CH2' HD23 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -106.01 100.02 9.59 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.766 ' O ' HD12 ' A' ' 126' ' ' ILE . 0.7 OUTLIER -157.02 159.69 38.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.353 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.605 ' CB ' HD23 ' A' ' 125' ' ' LEU . 5.4 ppt_? -96.53 121.31 38.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 110.313 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.774 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -110.33 154.68 23.16 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.902 HD11 ' HB ' ' A' ' 160' ' ' VAL . 3.0 tt -116.12 141.61 47.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 122' ' ' ASP . 0.5 OUTLIER -162.3 147.28 12.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 109.344 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.488 ' CB ' ' HA ' ' A' ' 121' ' ' TYR . 18.3 pt20 -99.06 137.02 38.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.324 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.26 -81.31 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 176.35 74.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.5 77.4 4.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.987 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 132.6 -167.24 23.21 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.448 1.093 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -48.88 -87.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 0.792 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 118' ' ' ALA . 39.4 t -103.75 13.51 32.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 110.041 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 117' ' ' SER . . . 40.63 -131.42 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.347 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 129.46 -27.66 4.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.64 154.55 20.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.883 ' HB2' HD21 ' A' ' 109' ' ' LEU . 8.2 m-85 -66.11 -168.38 0.05 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.412 1.07 . . . . 0.0 110.93 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.588 ' C ' HG11 ' A' ' 160' ' ' VAL . 0.3 OUTLIER -144.04 154.49 43.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 1.036 HG23 HG12 ' A' ' 160' ' ' VAL . 1.2 t -96.22 149.35 4.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.774 ' N ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -136.77 121.48 18.54 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.861 HD11 ' O ' ' A' ' 157' ' ' ASP . 45.1 mt -105.32 113.47 27.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.766 HD12 ' O ' ' A' ' 106' ' ' THR . 0.9 OUTLIER -96.68 131.36 43.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.209 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.638 ' OD1' ' CE2' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -87.07 -177.3 0.87 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.264 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.592 ' CD ' ' CB ' ' A' ' 127' ' ' ASN . 18.5 Cg_endo -74.91 49.28 2.18 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.526 1.803 . . . . 0.0 111.089 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -143.08 -53.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 147.38 -21.81 1.53 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.563 1.165 . . . . 0.0 111.019 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.602 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 6.1 tttp -71.06 143.79 50.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.771 . . . . 0.0 109.317 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.644 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -112.5 140.29 47.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.638 ' CE2' ' OD1' ' A' ' 127' ' ' ASN . 16.1 m-85 -104.05 125.94 50.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.501 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 23.7 mtm180 -86.43 -13.84 45.05 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.553 1.158 . . . . 0.0 110.34 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.473 ' HB3' ' CG1' ' A' ' 137' ' ' VAL . 0.9 OUTLIER -142.07 149.05 39.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.013 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.648 ' CE ' ' CZ ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -66.18 -27.09 67.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 135' ' ' SER . 2.3 p -59.11 -42.2 85.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.57 -23.22 65.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.327 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.616 HD11 ' CD1' ' A' ' 151' ' ' LEU . 12.4 tp -58.26 -51.18 70.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.723 HD12 ' HG3' ' A' ' 153' ' ' PRO . 0.0 OUTLIER -62.25 -44.81 99.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -43.95 -48.84 8.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.915 ' O ' HG12 ' A' ' 146' ' ' VAL . 1.7 t80 -82.24 -35.28 28.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.719 ' O ' ' HA2' ' A' ' 147' ' ' GLY . 0.0 OUTLIER -72.13 -23.88 61.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 111.04 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.71 ' N ' ' O ' ' A' ' 140' ' ' ILE . 4.8 tm-20 -51.75 -20.99 2.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.406 1.066 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -124.77 -63.23 1.19 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.488 1.117 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.915 HG12 ' O ' ' A' ' 142' ' ' TYR . 10.8 p -80.27 2.98 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 109.242 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.719 ' HA2' ' O ' ' A' ' 143' ' ' PHE . . . 37.41 26.57 0.02 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . 0.531 ' N ' ' O ' ' A' ' 146' ' ' VAL . 73.5 m-20 33.16 90.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 149' ' ' THR . 0.6 OUTLIER -81.21 93.89 6.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.569 1.168 . . . . 0.0 110.389 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.589 ' CB ' ' O ' ' A' ' 149' ' ' THR . 0.5 OUTLIER 151.85 -53.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.383 1.052 . . . . 0.0 109.987 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.616 ' CD1' HD11 ' A' ' 139' ' ' LEU . 1.0 OUTLIER -132.72 107.85 8.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.482 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . 0.2 OUTLIER -98.82 177.1 1.68 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.085 . . . . 0.0 109.289 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.723 ' HG3' HD12 ' A' ' 140' ' ' ILE . 18.5 Cg_endo -75.07 -5.63 17.0 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.501 1.79 . . . . 0.0 111.029 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -102.14 2.85 37.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.245 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -165.16 47.74 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.648 ' CZ ' ' CE ' ' A' ' 136' ' ' LYS . 47.6 p90 -95.01 168.22 10.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 111.061 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.861 ' O ' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -106.6 131.2 54.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.641 ' CD1' ' N ' ' A' ' 158' ' ' PHE . 0.2 OUTLIER -152.77 106.29 3.05 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.501 1.125 . . . . 0.0 110.996 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . 0.914 ' H ' HG21 ' A' ' 123' ' ' VAL . 0.8 OUTLIER -106.6 -96.43 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.401 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 1.036 HG12 HG23 ' A' ' 123' ' ' VAL . 12.6 p -46.92 -23.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.579 HG22 ' CG1' ' A' ' 123' ' ' VAL . 1.3 t -116.51 19.41 14.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 110.371 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . 0.435 ' HA3' ' CD2' ' A' ' 158' ' ' PHE . . . -138.89 -112.97 1.09 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.564 1.165 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . 0.407 ' N ' ' HD2' ' A' ' 163' ' ' ARG . 15.7 mmm180 -77.28 -23.47 51.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 0.723 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -68.23 86.84 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.112 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 74.2 m -112.69 96.15 35.88 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.457 0.74 . . . . 0.0 109.911 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . 0.41 ' O ' ' C ' ' A' ' 167' ' ' SER . 18.1 Cg_endo -75.04 -38.95 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.447 1.762 . . . . 0.0 110.966 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 166' ' ' PRO . 15.4 p -38.37 -58.24 1.03 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 110.042 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 6.6 mtt180 -97.12 173.5 7.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.251 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.94 165.06 21.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.15 157.36 15.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 110.304 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -104.16 115.63 30.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.603 1.189 . . . . 0.0 110.262 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -55.63 119.03 22.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 171.61 17.98 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.473 1.775 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -42.0 0.57 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.476 1.777 . . . . 0.0 111.033 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 69.97 93.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -126.17 99.25 5.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.269 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -174.22 105.34 0.11 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.17 79.9 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . 0.41 ' HA ' ' HD3' ' A' ' 180' ' ' PRO . 32.2 p -171.89 136.87 0.94 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 110.013 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 179' ' ' SER . 18.2 Cg_endo -74.96 -20.44 16.96 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.476 1.777 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.83 165.85 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . 0.47 ' CB ' ' HD3' ' A' ' 183' ' ' PRO . 0.3 OUTLIER 168.42 -54.96 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 110.038 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . 0.47 ' HD3' ' CB ' ' A' ' 182' ' ' SER . 18.5 Cg_endo -74.94 152.39 41.01 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.46 1.768 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 137.27 171.98 12.37 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.492 1.12 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.58 162.65 2.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.6 0.824 . . . . 0.0 109.901 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -172.97 170.19 43.33 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.432 1.083 . . . . 0.0 111.025 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -144.84 166.41 25.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 0.77 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 161.96 115.96 0.37 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.546 1.153 . . . . 0.0 110.946 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -119.89 -65.53 1.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 0.749 . . . . 0.0 110.315 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . 52.09 82.57 0.04 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.03 111.05 20.07 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.557 0.798 . . . . 0.0 110.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -174.94 2.12 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.45 1.763 . . . . 0.0 110.938 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.74 146.77 47.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . 0.531 ' O ' ' CB ' ' A' ' 195' ' ' SER . . . -51.04 -82.83 0.04 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.522 1.139 . . . . 0.0 111.03 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . 0.531 ' CB ' ' O ' ' A' ' 194' ' ' GLY . 2.0 t 87.33 141.57 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 0.73 . . . . 0.0 110.006 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.033 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 163.12 35.75 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.469 1.773 . . . . 0.0 110.922 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -167.04 144.34 4.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.536 HG22 ' HD2' ' A' ' 76' ' ' PRO . 4.2 p -143.53 140.98 18.1 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.264 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.536 ' HD2' HG22 ' A' ' 75' ' ' VAL . 18.4 Cg_endo -75.01 179.8 5.73 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.507 1.793 . . . . 0.0 111.042 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -154.86 166.24 34.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -163.99 176.63 9.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.0 p -178.79 161.43 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -146.7 171.42 15.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 109.328 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.9 t -133.03 125.12 18.9 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.094 . . . . 0.0 110.039 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 166.03 30.1 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.483 1.781 . . . . 0.0 110.982 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -162.84 150.8 13.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -110.57 -45.36 3.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.255 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.6 ttp180 66.66 35.11 5.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -105.87 129.6 54.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.38 112.12 4.8 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.415 1.072 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.4 mm -75.84 145.05 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.717 HG23 ' N ' ' A' ' 90' ' ' ARG . 0.7 OUTLIER -96.78 -146.37 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.717 ' N ' HG23 ' A' ' 89' ' ' ILE . 4.6 mtt-85 -151.8 163.15 39.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 110.338 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -178.83 158.3 0.97 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 4.5 ptt180 -148.04 139.44 23.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.235 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 163.43 97.84 0.12 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -45.04 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.474 1.776 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 173.77 129.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.133 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.449 ' CD2' ' N ' ' A' ' 97' ' ' ASP . 35.8 p90 -170.45 -47.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 111.0 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.449 ' N ' ' CD2' ' A' ' 96' ' ' TYR . 64.7 t0 -123.67 64.36 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -169.89 66.43 0.55 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -63.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.483 1.781 . . . . 0.0 111.002 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.66 HG23 ' H ' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -149.98 -62.48 0.21 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.397 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.66 ' H ' HG23 ' A' ' 100' ' ' THR . 0.0 OUTLIER -109.03 99.43 35.42 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.467 1.104 . . . . 0.0 109.349 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 69.61 5.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.484 1.781 . . . . 0.0 110.964 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -159.21 44.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.555 1.159 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 105' ' ' TRP . . . 124.72 -106.56 0.93 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.593 ' CD1' ' HB3' ' A' ' 128' ' ' PRO . 0.0 OUTLIER -35.51 102.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.461 HG22 HD12 ' A' ' 126' ' ' ILE . 1.2 t -155.31 154.07 31.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.41 1.069 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 1.1 tmm_? -94.6 130.2 41.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.325 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.636 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -117.22 128.78 55.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.392 1.057 . . . . 0.0 109.312 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.866 HD21 ' HB2' ' A' ' 121' ' ' TYR . 0.8 OUTLIER -97.44 143.25 28.35 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 122' ' ' ASP . 0.6 OUTLIER -164.94 145.64 7.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.37 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 28.3 pt20 -100.84 135.0 42.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.158 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.01 77.46 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.28 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -69.9 74.4 0.45 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.388 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.03 59.47 1.11 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -159.55 -167.09 19.71 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 111.026 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 -55.01 -74.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 110.302 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.5 t -131.26 87.09 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 109.994 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.0 -147.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.386 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 124.05 -34.64 3.49 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.415 1.072 . . . . 0.0 111.068 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.1 mmpt? -84.79 146.51 27.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 0.779 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.898 ' HB2' HG21 ' A' ' 160' ' ' VAL . 1.3 m-85 -85.98 -172.23 3.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 111.024 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.596 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 0.3 OUTLIER -147.52 151.44 36.34 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.586 1.178 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.837 HG23 HG12 ' A' ' 160' ' ' VAL . 1.2 t -102.12 147.42 8.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.774 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -133.65 121.8 22.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.112 . . . . 0.0 110.984 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.783 HD21 ' HB3' ' A' ' 157' ' ' ASP . 59.4 mt -97.38 114.28 26.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.53 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 3.0 mt -92.84 124.05 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.61 1.193 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.836 ' HB2' ' HD2' ' A' ' 128' ' ' PRO . 53.2 p30 -78.93 176.5 3.64 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.836 ' HD2' ' HB2' ' A' ' 127' ' ' ASN . 18.4 Cg_endo -75.08 15.59 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.462 ' H ' ' C ' ' A' ' 127' ' ' ASN . 13.1 mt-30 -117.6 -11.41 10.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.224 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.484 ' N ' ' OD1' ' A' ' 127' ' ' ASN . . . 98.73 9.47 52.5 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.449 1.093 . . . . 0.0 111.073 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.53 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.7 OUTLIER -91.29 127.62 36.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.569 0.805 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.774 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -95.35 141.76 28.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.869 ' CE1' ' CD2' ' A' ' 142' ' ' TYR . 8.2 m-30 -119.68 125.7 49.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 111.033 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 0.8 OUTLIER -99.82 1.28 42.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.308 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -141.23 145.7 35.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.048 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.51 ' HD2' ' CE2' ' A' ' 156' ' ' PHE . 0.7 OUTLIER -69.44 -34.64 74.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.316 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.54 -41.5 82.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.286 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.642 ' O ' ' CD2' ' A' ' 142' ' ' TYR . 0.5 OUTLIER -64.47 -22.46 66.97 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 110.265 -179.949 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.759 HD11 HD11 ' A' ' 151' ' ' LEU . 13.4 tp -56.18 -49.18 74.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.5 OUTLIER -59.52 -47.85 89.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 138' ' ' GLU . . . -41.34 -50.54 3.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.075 . . . . 0.0 109.323 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.869 ' CD2' ' CE1' ' A' ' 133' ' ' PHE . 29.5 m-85 -86.01 -42.71 13.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.401 1.063 . . . . 0.0 110.996 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.602 ' CE1' ' OD1' ' A' ' 152' ' ' ASP . 1.0 OUTLIER -59.36 -24.79 63.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 111.002 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.572 ' N ' ' O ' ' A' ' 140' ' ' ILE . 2.5 tm-20 -52.0 -33.09 36.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.281 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.443 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 0.4 OUTLIER -178.05 62.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.656 ' HB ' ' O ' ' A' ' 142' ' ' TYR . 7.4 p -111.99 -12.6 11.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 148' ' ' ASP . . . 89.96 30.75 12.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 111.038 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . 0.432 ' OD1' ' HA ' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -38.08 113.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 0.779 . . . . 0.0 109.249 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.488 ' CG2' ' NE1' ' A' ' 105' ' ' TRP . 0.6 OUTLIER -93.31 2.53 56.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.455 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 2.4 t 168.34 -40.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 110.007 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.759 HD11 HD11 ' A' ' 139' ' ' LEU . 0.7 OUTLIER -71.95 97.15 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.16 . . . . 0.0 109.27 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.602 ' OD1' ' CE1' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -129.29 172.24 7.47 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.641 ' O ' ' CE2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -75.05 -6.1 17.59 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.511 1.795 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -96.5 -17.26 20.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -133.57 19.45 3.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.641 ' CE2' ' O ' ' A' ' 153' ' ' PRO . 0.0 OUTLIER -53.58 -174.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.398 1.061 . . . . 0.0 110.965 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.783 ' HB3' HD21 ' A' ' 125' ' ' LEU . 10.3 t70 -124.4 -50.76 1.76 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.678 ' CG ' ' O ' ' A' ' 158' ' ' PHE . 2.0 p90 12.43 89.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 111.025 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . 0.774 ' OG1' HG21 ' A' ' 123' ' ' VAL . 1.5 p -109.19 -87.48 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 110.398 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.898 HG21 ' HB2' ' A' ' 121' ' ' TYR . 9.9 p -47.12 -27.18 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.671 HG22 ' HB ' ' A' ' 123' ' ' VAL . 11.6 t -119.95 21.32 11.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.403 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . 0.568 ' HA3' ' CD2' ' A' ' 158' ' ' PHE . . . -141.14 -99.9 0.39 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.511 1.132 . . . . 0.0 110.969 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . 0.618 ' CD ' ' CE2' ' A' ' 158' ' ' PHE . 12.3 mmm180 -76.68 -24.12 53.18 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.436 0.727 . . . . 0.0 110.376 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 159' ' ' THR . . . -78.65 78.35 1.66 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.398 1.061 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 67.0 p -84.82 113.46 49.74 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.479 0.752 . . . . 0.0 109.959 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 167' ' ' SER . 18.1 Cg_endo -75.02 -61.25 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.462 1.77 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 166' ' ' PRO . 2.2 t 84.88 -165.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.552 ' O ' ' CB ' ' A' ' 169' ' ' ARG . 0.0 OUTLIER 68.36 144.53 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 110.247 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . 0.552 ' CB ' ' O ' ' A' ' 168' ' ' ARG . 0.0 OUTLIER 88.06 147.13 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.342 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . 0.449 ' N ' ' HD2' ' A' ' 169' ' ' ARG . 0.1 OUTLIER -154.88 153.69 31.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -142.68 126.03 16.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.323 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.04 95.28 0.28 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 155.75 42.96 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.445 1.76 . . . . 0.0 111.029 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -178.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.537 1.809 . . . . 0.0 111.019 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.52 113.5 0.36 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.352 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -154.43 162.17 41.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -162.41 126.33 3.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.42 165.64 11.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 96.3 p -170.79 82.52 0.54 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.953 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 162.57 36.86 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.501 1.79 . . . . 0.0 111.029 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.08 167.98 23.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.96 115.88 1.22 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.983 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -175.33 2.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.542 1.811 . . . . 0.0 110.998 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -177.09 154.84 16.74 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 34.6 p 178.72 154.22 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.989 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -151.56 155.43 26.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.563 1.164 . . . . 0.0 110.974 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 179.03 157.7 0.54 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 0.763 . . . . 0.0 110.272 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -126.14 -117.0 2.11 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.438 1.086 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 14.0 mtp180 -122.68 -148.03 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 0.765 . . . . 0.0 110.294 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . -179.8 -164.54 32.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.32 144.03 27.98 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 110.263 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -70.35 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.492 1.785 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 3.4 ttpp -165.41 -56.85 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . 132.45 -114.85 1.51 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 58.4 p -146.85 102.98 3.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 0.723 . . . . 0.0 109.986 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -173.89 1.73 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.481 1.779 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -176.08 124.57 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 42.0 t -133.45 120.74 15.97 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 174.66 12.38 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.548 1.815 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -150.69 158.23 43.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -168.92 176.44 5.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 46.3 p -149.07 169.28 21.02 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.006 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -134.36 171.33 14.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.0 t -174.87 92.4 0.3 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.008 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 147.55 34.04 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.511 1.795 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.69 91.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 85' ' ' ARG . 0.1 OUTLIER -90.71 99.62 12.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 86' ' ' ARG . 0.1 OUTLIER -37.32 -46.02 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.471 ' C ' ' O ' ' A' ' 85' ' ' ARG . 1.5 ttp180 32.78 86.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 110.215 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.7 t -129.28 79.79 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.006 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 37.1 mm -60.03 149.47 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.165 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.695 HG23 ' N ' ' A' ' 90' ' ' ARG . 0.6 OUTLIER -128.59 -149.6 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.695 ' N ' HG23 ' A' ' 89' ' ' ILE . 0.6 OUTLIER -165.29 112.0 0.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.343 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.56 138.07 48.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.328 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -142.27 152.33 42.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.248 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -129.82 154.59 20.54 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 116.07 4.48 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.563 1.823 . . . . 0.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.95 -177.72 6.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.08 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -54.03 -24.87 18.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.446 1.091 . . . . 0.0 111.032 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -87.6 161.44 17.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.347 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.78 159.11 32.9 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -2.79 12.99 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.477 1.777 . . . . 0.0 110.91 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 1.023 HG21 ' CZ2' ' A' ' 105' ' ' TRP . 82.8 p -77.69 -132.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.602 1.189 . . . . 0.0 110.38 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -60.81 159.42 26.34 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -49.19 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.526 1.803 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -146.45 70.82 1.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.353 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.84 -58.15 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 111.047 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 1.023 ' CZ2' HG21 ' A' ' 100' ' ' THR . 0.1 OUTLIER -121.06 116.58 25.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.445 HG22 ' N ' ' A' ' 107' ' ' ARG . 18.1 m -159.42 167.24 29.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.557 1.161 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.489 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 4.4 ttp85 -95.39 130.03 42.32 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 110.303 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.642 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.1 OUTLIER -116.83 127.54 54.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.309 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.938 HD21 ' CB ' ' A' ' 121' ' ' TYR . 7.0 tt -100.67 139.88 35.72 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.549 ' N ' HD23 ' A' ' 109' ' ' LEU . 14.5 pttt -149.46 139.78 22.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.403 ' HG2' ' N ' ' A' ' 112' ' ' ARG . 2.3 tm0? -101.23 138.73 37.86 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 113' ' ' LYS . 0.1 OUTLIER -159.4 -75.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.541 1.151 . . . . 0.0 110.256 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.526 ' CB ' ' O ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER 162.31 122.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 115' ' ' GLY . 80.6 p -118.19 38.11 3.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 114' ' ' SER . . . 37.29 -157.3 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.75 -89.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 0.782 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.456 ' O ' ' O ' ' A' ' 118' ' ' ALA . 31.2 t -95.4 -46.15 6.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.584 1.177 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.456 ' O ' ' O ' ' A' ' 117' ' ' SER . . . 55.26 162.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 109.267 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 104.94 -21.09 36.93 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 111.036 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -101.05 154.69 18.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 0.768 . . . . 0.0 109.297 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 1.069 ' HB2' HG21 ' A' ' 160' ' ' VAL . 1.2 m-85 -69.7 -153.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.078 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.683 ' O ' ' HG ' ' A' ' 109' ' ' LEU . 0.4 OUTLIER -147.45 153.46 39.6 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.534 1.146 . . . . 0.0 109.351 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.973 HG23 HG12 ' A' ' 160' ' ' VAL . 0.9 OUTLIER -117.54 145.82 22.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.336 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.816 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -133.77 120.72 20.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.538 1.149 . . . . 0.0 111.076 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.539 HD12 ' CZ ' ' A' ' 158' ' ' PHE . 69.2 mt -96.97 112.61 24.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.356 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.61 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 1.2 mt -97.03 123.54 49.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.605 ' HB2' ' HD2' ' A' ' 128' ' ' PRO . 4.9 p-10 -74.99 176.73 2.78 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.231 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.605 ' HD2' ' HB2' ' A' ' 127' ' ' ASN . 18.5 Cg_endo -74.98 52.47 3.06 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.441 1.759 . . . . 0.0 111.043 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.437 ' HB2' ' OD1' ' A' ' 127' ' ' ASN . 54.9 mt-30 -152.58 -44.3 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 110.32 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 142.12 -16.52 2.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.61 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -71.14 133.79 46.47 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.476 0.751 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.816 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -108.77 145.87 34.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.525 ' CE1' ' HD2' ' A' ' 131' ' ' LYS . 49.3 m-85 -111.15 127.19 55.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.517 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 5.5 mtm180 -102.43 -2.64 28.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.73 ' OG ' HG12 ' A' ' 137' ' ' VAL . 10.0 t -141.8 147.02 36.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.644 ' HA ' ' CE2' ' A' ' 158' ' ' PHE . 5.6 ttpt -64.61 -30.68 71.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.73 HG12 ' OG ' ' A' ' 135' ' ' SER . 1.0 OUTLIER -60.03 -46.64 93.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.451 1.094 . . . . 0.0 109.207 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -24.01 64.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 151' ' ' LEU . 12.8 tp -59.4 -48.91 79.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.663 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -63.07 -45.75 97.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.101 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -41.38 -50.59 3.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.64 ' O ' ' HB ' ' A' ' 146' ' ' VAL . 1.1 m-85 -88.77 -39.42 13.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 111.042 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.612 ' HB3' ' HA ' ' A' ' 140' ' ' ILE . 79.0 t80 -65.44 -21.19 66.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.971 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.663 ' N ' ' O ' ' A' ' 140' ' ' ILE . 1.1 tm-20 -49.0 -43.94 40.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.486 ' CG ' ' O ' ' A' ' 145' ' ' LYS . 8.9 pttt -176.84 68.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.64 ' HB ' ' O ' ' A' ' 142' ' ' TYR . 9.1 p -109.15 -10.2 11.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 96.94 11.28 53.61 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.468 1.105 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . 0.479 ' OD1' ' CG ' ' A' ' 128' ' ' PRO . 32.3 m-20 -93.48 94.78 8.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 0.755 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 149' ' ' THR . 0.8 OUTLIER -100.53 100.31 11.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 110.424 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 149' ' ' THR . 1.3 t 157.27 -52.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.997 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.672 HD11 HD11 ' A' ' 139' ' ' LEU . 0.1 OUTLIER -88.81 119.78 29.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.537 ' HB3' ' CZ ' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -127.07 170.82 9.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.517 ' HD3' ' CE2' ' A' ' 143' ' ' PHE . 18.5 Cg_endo -74.93 -9.9 21.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.04 -8.76 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.152 . . . . 0.0 109.249 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -142.82 30.25 1.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.498 ' CD2' ' O ' ' A' ' 153' ' ' PRO . 0.6 OUTLIER -55.44 -169.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 111.029 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.713 ' O ' HG23 ' A' ' 159' ' ' THR . 0.1 OUTLIER -121.27 -2.17 9.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.796 ' HA ' HG11 ' A' ' 123' ' ' VAL . 66.1 m-85 -49.14 113.3 0.77 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . 0.895 ' OG1' HG21 ' A' ' 123' ' ' VAL . 21.5 p -108.34 -92.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.575 1.172 . . . . 0.0 110.397 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 1.069 HG21 ' HB2' ' A' ' 121' ' ' TYR . 7.8 p -49.04 -22.57 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.789 HG22 ' HB ' ' A' ' 123' ' ' VAL . 2.8 t -120.78 20.77 11.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 158' ' ' PHE . . . -137.34 -78.03 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.561 1.163 . . . . 0.0 111.03 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.98 -9.25 58.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 0.732 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.453 ' C ' ' HD3' ' A' ' 166' ' ' PRO . . . 38.31 33.22 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.482 1.114 . . . . 0.0 110.953 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.16 76.35 8.68 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.495 0.761 . . . . 0.0 110.014 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . 0.491 ' O ' ' CB ' ' A' ' 167' ' ' SER . 18.5 Cg_endo -74.97 -54.44 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.532 1.806 . . . . 0.0 111.065 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 166' ' ' PRO . 1.1 t 85.21 129.53 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.992 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 169' ' ' ARG . 0.0 OUTLIER -159.05 -58.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.268 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 168' ' ' ARG . 14.4 ptm180 38.06 90.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -151.07 113.13 4.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.16 . . . . 0.0 110.332 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -141.82 157.17 45.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 110.268 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -179.76 104.68 0.18 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.102 . . . . 0.0 110.252 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 136.04 19.84 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.45 1.763 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -171.19 0.91 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.523 1.801 . . . . 0.0 111.006 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.44 116.44 1.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.576 1.172 . . . . 0.0 109.244 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 2.4 mtpp -94.07 178.04 5.78 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.405 1.065 . . . . 0.0 109.347 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -174.69 177.22 2.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt 66.85 154.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.397 1.061 . . . . 0.0 109.278 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 87.4 p -151.67 134.95 9.16 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 110.018 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 170.13 21.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.778 . . . . 0.0 110.99 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -179.09 147.26 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 109.268 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.61 146.07 4.06 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.53 1.144 . . . . 0.0 109.952 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -176.69 3.0 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.472 1.775 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 177.76 126.18 0.97 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 29.2 t -178.14 165.78 1.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 0.777 . . . . 0.0 109.97 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 50.43 -109.36 0.67 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 38.2 80.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 0.749 . . . . 0.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 148.85 82.95 0.04 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.88 -55.36 1.99 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 0.774 . . . . 0.0 110.283 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . -127.56 132.05 7.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 192' ' ' PRO . 5.0 mtt85 -76.11 134.12 71.39 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.448 0.734 . . . . 0.0 110.238 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 191' ' ' ARG . 18.5 Cg_endo -74.94 55.75 4.01 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.58 1.832 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 2.4 tptt 54.61 -157.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . 0.475 ' O ' ' CB ' ' A' ' 195' ' ' SER . . . 152.14 148.41 4.84 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.557 1.16 . . . . 0.0 111.031 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 194' ' ' GLY . 0.7 OUTLIER 83.76 123.06 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 110.009 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.113 . . . . 0.0 110.96 -179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 163.66 34.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.51 1.795 . . . . 0.0 111.006 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 76' ' ' PRO . . . -124.53 151.52 44.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 74' ' ' ALA . 74.0 t -39.57 99.99 0.21 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.409 ' N ' ' O ' ' A' ' 74' ' ' ALA . 18.4 Cg_endo -74.99 -53.91 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.773 . . . . 0.0 110.97 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 40.08 86.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 110.342 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.69 59.12 1.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.4 t -166.6 82.25 0.26 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.121 . . . . 0.0 110.008 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -154.61 75.8 0.99 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.47 72.52 0.21 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 110.047 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 63.65 5.95 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.513 1.796 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.96 -178.05 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 29.1 mm-40 -69.03 108.01 3.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -37.79 -52.43 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.282 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.457 ' C ' ' O ' ' A' ' 85' ' ' ARG . 20.4 ttt180 33.36 88.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 110.366 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 27.5 t 177.44 93.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 3.1 mt -118.12 -51.48 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.0 pt -70.83 -172.63 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.0 mmm-85 -71.03 162.84 28.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.279 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -133.04 74.24 1.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 59.73 103.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -112.5 -87.44 1.67 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -168.13 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.508 1.794 . . . . 0.0 110.99 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.1 -168.06 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.538 ' O ' ' CB ' ' A' ' 97' ' ' ASP . 27.4 p90 -43.19 167.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.538 ' CB ' ' O ' ' A' ' 96' ' ' TYR . 3.0 t70 85.16 129.09 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.507 ' OD1' ' CA ' ' A' ' 104' ' ' GLY . 0.2 OUTLIER 168.59 112.76 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.438 1.086 . . . . 0.0 109.256 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.624 ' C ' HG22 ' A' ' 100' ' ' THR . 18.3 Cg_endo -75.0 -80.08 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.464 1.771 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.624 HG22 ' C ' ' A' ' 99' ' ' PRO . 0.0 OUTLIER 162.03 -102.2 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.582 1.176 . . . . 0.0 110.411 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.749 HD13 ' O ' ' A' ' 128' ' ' PRO . 0.2 OUTLIER -37.55 -52.23 2.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.499 ' CD ' ' N ' ' A' ' 101' ' ' LEU . 18.1 Cg_endo -75.04 78.82 2.82 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.447 1.762 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.426 ' O ' ' O ' ' A' ' 102' ' ' PRO . 17.3 mp0 37.59 92.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.507 ' CA ' ' OD1' ' A' ' 98' ' ' ASP . . . -179.55 -124.4 0.88 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.77 ' O ' HG23 ' A' ' 106' ' ' THR . 0.0 OUTLIER 61.39 91.49 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.77 HG23 ' O ' ' A' ' 105' ' ' TRP . 1.2 p -162.09 179.07 8.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.619 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -88.16 128.13 35.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.327 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.697 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.6 OUTLIER -111.39 130.06 55.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.87 HD21 ' HB2' ' A' ' 121' ' ' TYR . 2.1 tt -101.74 142.57 32.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.524 ' N ' HD23 ' A' ' 109' ' ' LEU . 1.6 mtpt -151.27 -174.65 4.88 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 109.332 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -95.15 138.58 32.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.17 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.773 HH11 ' HB1' ' A' ' 118' ' ' ALA . 0.0 OUTLIER -110.83 -176.47 2.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.52 177.28 4.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.2 m 38.32 57.98 1.62 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.465 1.103 . . . . 0.0 110.027 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 117' ' ' SER . . . -134.85 54.84 0.75 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? 64.92 -75.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 0.766 . . . . 0.0 110.226 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 115' ' ' GLY . 42.7 t -123.52 55.36 1.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.061 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.773 ' HB1' HH11 ' A' ' 112' ' ' ARG . . . -51.62 157.33 1.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.287 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 165.17 -58.81 0.25 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.552 1.158 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.471 ' O ' ' NE ' ' A' ' 112' ' ' ARG . 0.0 OUTLIER -80.76 142.79 33.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.87 ' HB2' HD21 ' A' ' 109' ' ' LEU . 15.5 m-85 -52.67 -171.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 111.069 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.568 ' C ' HG11 ' A' ' 160' ' ' VAL . 0.5 OUTLIER -140.99 153.17 45.44 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 1.086 HG21 ' OG1' ' A' ' 159' ' ' THR . 0.9 OUTLIER -107.37 150.21 10.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.276 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.726 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -130.45 124.5 32.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.483 HD22 ' OD2' ' A' ' 157' ' ' ASP . 81.8 mt -95.54 113.64 25.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.24 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.627 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 3.2 mt -96.26 122.47 47.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.821 ' OD1' HD23 ' A' ' 151' ' ' LEU . 1.0 OUTLIER -73.16 179.66 1.09 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.749 ' O ' HD13 ' A' ' 101' ' ' LEU . 18.3 Cg_endo -75.0 1.86 7.27 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.479 1.778 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -100.29 -27.37 13.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 110.278 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.42 ' CA ' HG21 ' A' ' 100' ' ' THR . . . 118.22 1.68 16.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.627 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.0 OUTLIER -84.57 132.98 34.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.576 0.809 . . . . 0.0 109.25 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.726 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -103.87 143.03 33.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.597 ' CD1' ' HB3' ' A' ' 138' ' ' GLU . 7.3 m-85 -114.63 125.81 54.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.546 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 4.6 mtp180 -93.15 -4.16 52.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.52 146.16 37.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 109.996 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.499 ' HE2' ' CE2' ' A' ' 156' ' ' PHE . 14.9 ttmt -69.49 -27.94 65.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.357 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.2 p -59.47 -41.29 84.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.238 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.597 ' HB3' ' CD1' ' A' ' 133' ' ' PHE . 4.5 tp10 -62.07 -23.6 66.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.974 HD11 HD11 ' A' ' 151' ' ' LEU . 11.7 tp -60.44 -48.18 82.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.365 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.788 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.3 OUTLIER -61.53 -45.33 98.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -44.31 -49.14 9.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.922 ' O ' HG12 ' A' ' 146' ' ' VAL . 0.2 OUTLIER -87.12 -28.72 22.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.402 1.064 . . . . 0.0 111.036 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.66 ' HB3' ' HA ' ' A' ' 140' ' ' ILE . 6.4 t80 -80.51 -20.17 44.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.788 ' N ' ' O ' ' A' ' 140' ' ' ILE . 2.5 tm-20 -48.67 -50.34 33.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.07 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.55 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 0.0 OUTLIER 169.19 41.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.922 HG12 ' O ' ' A' ' 142' ' ' TYR . 0.9 OUTLIER -87.68 -11.02 10.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 147.88 -40.61 0.95 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.443 1.089 . . . . 0.0 110.96 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . 0.461 ' CG ' ' N ' ' A' ' 149' ' ' THR . 0.0 OUTLIER 55.42 168.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 0.75 . . . . 0.0 109.268 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.757 HG22 ' N ' ' A' ' 150' ' ' SER . 0.6 OUTLIER -158.68 -72.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 110.475 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.757 ' N ' HG22 ' A' ' 149' ' ' THR . 9.9 t -159.98 34.23 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.009 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.974 HD11 HD11 ' A' ' 139' ' ' LEU . 0.2 OUTLIER -138.86 112.55 8.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.339 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.58 ' OD1' ' CZ ' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -125.21 168.76 12.69 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.613 ' O ' ' CE2' ' A' ' 156' ' ' PHE . 18.4 Cg_endo -74.98 -6.0 17.51 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.49 1.784 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -100.91 -13.26 18.4 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.04 18.6 4.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.834 ' CE1' ' CE1' ' A' ' 158' ' ' PHE . 0.0 OUTLIER -55.54 -172.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.115 . . . . 0.0 110.928 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.565 ' O ' HG23 ' A' ' 159' ' ' THR . 0.0 OUTLIER -124.51 0.42 8.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.834 ' CE1' ' CE1' ' A' ' 156' ' ' PHE . 0.1 OUTLIER -38.36 103.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 111.056 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . 1.086 ' OG1' HG21 ' A' ' 123' ' ' VAL . 0.7 OUTLIER -108.8 -95.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.396 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.794 ' HB ' HD11 ' A' ' 109' ' ' LEU . 10.6 p -49.53 -38.63 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.489 ' HB ' ' H ' ' A' ' 123' ' ' VAL . 8.3 t -91.42 -23.97 19.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.411 1.069 . . . . 0.0 110.375 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . 0.458 ' CA ' ' HB2' ' A' ' 158' ' ' PHE . . . -70.41 -41.95 66.0 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -76.31 -24.17 54.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 80.08 -78.71 1.78 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.15 . . . . 0.0 110.965 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.56 115.94 48.72 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.433 0.725 . . . . 0.0 110.019 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . 0.428 ' O ' ' CB ' ' A' ' 167' ' ' SER . 18.2 Cg_endo -74.99 -158.1 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.465 1.771 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' A' ' 166' ' ' PRO . 0.6 OUTLIER 165.09 -84.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.009 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 41.9 ttt180 55.0 25.72 7.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.247 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -119.0 170.41 9.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -129.44 137.34 50.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -94.41 -79.75 0.41 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.34 91.66 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.485 1.115 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 158.56 41.93 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.503 1.791 . . . . 0.0 110.98 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -165.05 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.473 1.775 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.71 -164.55 0.94 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.78 166.26 26.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.364 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -154.26 -171.96 4.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -161.13 133.42 5.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 21.7 t -107.66 124.0 36.25 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.033 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 151.75 39.95 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.468 1.773 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.75 133.34 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.16 143.41 16.56 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.022 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -167.24 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 111.045 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -146.63 -177.13 21.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.485 1.115 . . . . 0.0 111.063 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 73.6 m -164.12 171.94 14.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 0.787 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -173.89 48.29 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 111.03 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -167.65 159.88 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 0.778 . . . . 0.0 110.295 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -170.69 -79.88 0.05 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 111.026 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.96 -15.46 12.86 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.525 0.78 . . . . 0.0 110.377 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . 61.13 -143.76 48.64 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.511 1.132 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.93 87.48 0.21 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.523 0.778 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -73.82 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.565 1.824 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.32 173.94 11.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.412 1.07 . . . . 0.0 109.24 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . 0.534 ' O ' ' CB ' ' A' ' 195' ' ' SER . . . -111.94 49.13 0.87 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.533 1.145 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 194' ' ' GLY . 0.4 OUTLIER 88.28 86.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 0.812 . . . . 0.0 109.953 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.143 . . . . 0.0 110.992 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 149.47 36.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -117.94 113.49 21.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.389 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 38.6 t -120.93 85.41 40.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 134.93 18.56 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.532 1.806 . . . . 0.0 110.984 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.45 140.08 58.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.86 172.22 14.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.353 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 t -109.8 139.2 45.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.055 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.65 -174.51 2.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.41 150.61 23.89 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.962 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -163.59 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.538 1.809 . . . . 0.0 111.023 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.17 -173.31 4.63 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -92.01 -47.72 7.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.23 26.96 12.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.506 ' HG3' HD12 ' A' ' 88' ' ' ILE . 0.0 OUTLIER -89.54 154.67 19.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 74.4 m -167.35 -55.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.506 HD12 ' HG3' ' A' ' 86' ' ' ARG . 1.3 mp 61.2 149.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.761 HG23 ' N ' ' A' ' 90' ' ' ARG . 0.4 OUTLIER 62.16 -177.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.25 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.761 ' N ' HG23 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -167.56 -166.35 0.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -88.16 171.31 10.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.44 -171.83 2.25 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 110.363 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -160.39 101.01 0.19 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.52 1.137 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -177.37 3.42 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.529 1.805 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.57 ' HG2' ' CD1' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -115.42 -0.42 13.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.438 1.086 . . . . 0.0 110.969 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.704 ' CE1' ' CB ' ' A' ' 110' ' ' LYS . 0.6 OUTLIER -81.6 -65.07 1.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 111.026 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.555 ' CB ' ' O ' ' A' ' 96' ' ' TYR . 3.3 m-20 151.71 -171.68 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.445 1.09 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -123.42 73.4 50.6 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.577 ' HG2' HD13 ' A' ' 126' ' ' ILE . 18.4 Cg_endo -74.92 -77.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.544 1.812 . . . . 0.0 111.031 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.462 ' O ' ' OG1' ' A' ' 100' ' ' THR . 0.2 OUTLIER 35.9 53.57 0.89 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.406 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 25.7 mt -63.16 112.15 6.35 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.404 ' O ' ' HB3' ' A' ' 103' ' ' GLU . 18.2 Cg_endo -75.03 50.21 2.47 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.469 1.773 . . . . 0.0 110.963 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 102' ' ' PRO . 8.7 pt-20 168.27 -41.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' A' ' 105' ' ' TRP . . . -103.06 -150.18 21.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.376 1.048 . . . . 0.0 111.063 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.717 ' CE3' ' O ' ' A' ' 126' ' ' ILE . 1.8 p-90 178.77 152.91 0.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.542 ' N ' ' CE3' ' A' ' 105' ' ' TRP . 1.6 p -152.47 169.18 23.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.427 ' CG ' ' O ' ' A' ' 107' ' ' ARG . 0.0 OUTLIER -95.81 120.2 35.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.324 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.636 ' N ' ' O ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -107.84 138.05 44.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.999 HD11 ' HB ' ' A' ' 160' ' ' VAL . 0.2 OUTLIER -94.94 143.37 26.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.704 ' CB ' ' CE1' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -131.89 167.87 18.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.579 ' HB2' ' CE2' ' A' ' 121' ' ' TYR . 35.3 tt0 -95.23 135.52 36.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.344 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.447 ' CB ' ' O ' ' A' ' 111' ' ' GLN . 0.0 OUTLIER 162.52 135.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 110.267 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.476 ' HB3' ' CB ' ' A' ' 118' ' ' ALA . 0.1 OUTLIER -152.09 -77.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.395 1.059 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 115' ' ' GLY . 25.6 t -179.05 36.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.011 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 117' ' ' SER . . . 43.64 -168.53 0.02 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? 62.7 -76.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.4 0.706 . . . . 0.0 110.347 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 115' ' ' GLY . 35.4 t -132.41 51.79 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.41 1.069 . . . . 0.0 110.059 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 113' ' ' LYS . . . -55.78 -104.29 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.242 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 92.62 -54.99 2.7 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.39 144.18 44.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.574 0.808 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.592 ' O ' HG22 ' A' ' 160' ' ' VAL . 3.0 m-85 -101.96 -174.14 2.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.561 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 0.1 OUTLIER -119.0 155.91 30.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.367 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 1.054 HG23 HG12 ' A' ' 160' ' ' VAL . 0.9 OUTLIER -101.18 149.44 6.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.713 ' CE2' ' HB3' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -136.47 120.5 17.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 110.999 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.998 HD11 ' O ' ' A' ' 157' ' ' ASP . 63.3 mt -105.4 116.63 32.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.721 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 2.4 mt -92.03 149.41 4.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 109.349 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.641 ' ND2' ' CE2' ' A' ' 133' ' ' PHE . 0.0 OUTLIER -102.83 178.47 1.19 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.211 -179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.501 ' CD ' ' CB ' ' A' ' 127' ' ' ASN . 18.4 Cg_endo -75.01 44.81 1.23 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.51 1.794 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.417 ' H ' ' C ' ' A' ' 127' ' ' ASN . 39.5 mt-30 -145.9 -45.66 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 143.5 -15.61 2.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.479 1.112 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.721 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 5.9 ttmt -68.41 146.76 52.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 0.727 . . . . 0.0 109.328 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.713 ' HB3' ' CE2' ' A' ' 124' ' ' TYR . . . -122.19 131.06 53.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.34 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.641 ' CE2' ' ND2' ' A' ' 127' ' ' ASN . 12.4 m-85 -96.53 125.01 40.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.573 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 4.0 mtp-105 -81.93 -19.87 39.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.985 ' OG ' HG12 ' A' ' 137' ' ' VAL . 39.0 t -143.35 151.66 40.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.945 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.587 ' HD2' ' CE1' ' A' ' 156' ' ' PHE . 12.7 ttpt -64.13 -25.62 68.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.985 HG12 ' OG ' ' A' ' 135' ' ' SER . 2.3 p -57.84 -46.67 87.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.14 -23.95 57.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.576 HD11 ' CD1' ' A' ' 151' ' ' LEU . 12.6 tp -59.23 -48.93 79.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.278 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.758 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -60.39 -46.27 95.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.376 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -44.16 -47.75 9.12 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.431 1.082 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.942 ' O ' HG12 ' A' ' 146' ' ' VAL . 0.1 OUTLIER -82.49 -29.12 30.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.611 1.195 . . . . 0.0 110.937 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.528 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -81.26 -21.57 39.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 110.989 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.758 ' N ' ' O ' ' A' ' 140' ' ' ILE . 0.2 OUTLIER -50.16 -52.5 34.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.483 1.115 . . . . 0.0 110.282 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.645 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 0.0 OUTLIER 172.2 58.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.426 1.079 . . . . 0.0 109.329 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.942 HG12 ' O ' ' A' ' 142' ' ' TYR . 1.4 p -106.15 -11.61 10.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 92.96 45.0 3.71 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.537 1.148 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -102.66 161.21 13.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.765 . . . . 0.0 109.25 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.603 HG22 ' O ' ' A' ' 149' ' ' THR . 0.3 OUTLIER -162.49 102.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 110.435 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.42 ' OG ' ' CD1' ' A' ' 105' ' ' TRP . 10.2 t 169.73 -87.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.687 HD22 ' CE2' ' A' ' 105' ' ' TRP . 0.7 OUTLIER -98.84 134.99 40.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.322 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.415 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . 0.3 OUTLIER -124.43 173.52 4.62 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 109.263 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 152' ' ' ASP . 18.3 Cg_endo -74.93 -3.18 13.53 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.515 1.798 . . . . 0.0 110.957 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.47 -5.28 27.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -157.4 33.49 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.587 ' CE1' ' HD2' ' A' ' 136' ' ' LYS . 54.7 p90 -70.88 -160.25 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.998 ' O ' HD11 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -146.06 160.68 41.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.701 ' CD1' ' O ' ' A' ' 158' ' ' PHE . 0.1 OUTLIER 177.46 111.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.165 . . . . 0.0 110.986 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . 0.923 ' H ' HG21 ' A' ' 123' ' ' VAL . 24.8 p -106.8 -92.33 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.395 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 1.054 HG12 HG23 ' A' ' 123' ' ' VAL . 9.3 p -49.02 -21.62 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.15 . . . . 0.0 109.358 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.547 HG22 ' CG1' ' A' ' 123' ' ' VAL . 1.7 t -117.94 20.14 13.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.35 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . 0.647 ' CA ' ' CD2' ' A' ' 158' ' ' PHE . . . -137.13 -134.42 3.27 Favored Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.466 1.104 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -11.78 59.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 0.812 . . . . 0.0 110.309 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -78.1 60.0 3.9 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 62.2 p -89.84 116.4 66.27 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 167' ' ' SER . 18.5 Cg_endo -74.98 -27.91 9.66 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.807 . . . . 0.0 111.031 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 166' ' ' PRO . 97.3 p -37.63 134.51 0.68 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.967 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -73.26 -166.96 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.75 177.24 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 110.261 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 71.8 124.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.473 1.108 . . . . 0.0 110.324 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -137.44 141.21 41.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.84 94.94 12.58 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.321 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.02 42.92 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.484 1.781 . . . . 0.0 110.98 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 174.92 11.96 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.467 1.772 . . . . 0.0 110.924 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.72 155.35 7.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -151.01 -81.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . 65.87 167.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 76.69 146.05 0.09 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.557 1.161 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 1.5 m -145.92 149.32 38.86 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.969 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' A' ' 181' ' ' LYS . 18.0 Cg_endo -75.06 -60.51 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.494 1.786 . . . . 0.0 110.945 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 180' ' ' PRO . 9.3 pttp 46.95 -172.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 170.23 152.95 0.18 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.073 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -167.28 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 161.08 117.18 0.43 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 74.7 p -165.07 162.07 20.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 0.795 . . . . 0.0 110.042 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 164.37 169.24 27.66 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.018 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -171.23 172.91 5.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.417 0.716 . . . . 0.0 110.308 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -159.14 106.29 0.28 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.115 . . . . 0.0 110.973 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.27 -8.62 13.49 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 0.756 . . . . 0.0 110.268 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' GLY . . . . . 0.423 ' O ' ' CB ' ' A' ' 191' ' ' ARG . . . -71.88 173.43 44.82 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.522 1.138 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . 0.48 ' N ' ' CD ' ' A' ' 192' ' ' PRO . 0.0 OUTLIER 163.39 -52.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.484 0.755 . . . . 0.0 110.259 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 191' ' ' ARG . 18.2 Cg_endo -75.02 103.89 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.522 1.801 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.45 122.77 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . 162.54 114.78 0.32 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 13.6 p -115.57 91.9 3.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 0.76 . . . . 0.0 110.068 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.966 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.196 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -164.52 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.48 1.779 . . . . 0.0 110.967 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.3 127.04 0.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.7 t -135.84 91.02 18.18 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -168.87 0.56 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.478 1.778 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -177.19 142.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -165.37 164.45 19.71 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.535 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 0.4 OUTLIER 174.94 169.48 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.535 ' HB2' ' O ' ' A' ' 79' ' ' SER . . . 173.73 156.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 43.6 t -179.96 91.91 0.19 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -175.03 2.15 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.507 1.793 . . . . 0.0 111.027 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -174.86 121.88 0.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.52 1.138 . . . . 0.0 109.234 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 85' ' ' ARG . 1.7 mt-30 -115.21 103.42 10.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.479 ' O ' ' C ' ' A' ' 86' ' ' ARG . 8.4 ptm180 -36.97 -50.14 0.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 110.273 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.479 ' C ' ' O ' ' A' ' 85' ' ' ARG . 1.5 ttt180 32.75 88.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.277 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 64.7 p -143.82 98.93 3.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.447 1.092 . . . . 0.0 110.067 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.544 HD13 ' O ' ' A' ' 88' ' ' ILE . 0.1 OUTLIER -64.56 118.99 7.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' A' ' 90' ' ' ARG . 1.5 pt -105.82 -171.14 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 89' ' ' ILE . 4.0 ttt180 84.98 166.56 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.174 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -173.67 -178.21 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.71 -177.26 4.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.312 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 161.72 99.4 0.14 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.493 1.121 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -164.65 0.24 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.436 1.756 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.45 -48.25 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.946 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 97' ' ' ASP . 44.5 m-85 -56.13 -167.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.963 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.419 ' O ' ' CB ' ' A' ' 98' ' ' ASP . 0.6 OUTLIER -40.05 129.09 2.21 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.528 ' N ' ' CD ' ' A' ' 99' ' ' PRO . 0.2 OUTLIER 162.6 -51.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.528 ' CD ' ' N ' ' A' ' 98' ' ' ASP . 18.1 Cg_endo -75.03 57.97 4.76 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.573 1.828 . . . . 0.0 110.971 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.567 ' HA ' HG21 ' A' ' 126' ' ' ILE . 43.6 p -105.32 59.25 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.35 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.582 HD13 ' HA3' ' A' ' 104' ' ' GLY . 0.0 OUTLIER -105.08 170.02 6.44 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.512 ' HA ' ' HA ' ' A' ' 128' ' ' PRO . 18.2 Cg_endo -75.07 -35.69 2.94 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.502 1.79 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -100.61 -8.18 23.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 110.244 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.582 ' HA3' HD13 ' A' ' 101' ' ' LEU . . . -109.57 9.59 32.68 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.484 1.115 . . . . 0.0 111.062 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.789 ' HE1' HD22 ' A' ' 151' ' ' LEU . 0.0 OUTLIER -45.64 129.92 8.94 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.64 HG23 ' O ' ' A' ' 105' ' ' TRP . 1.6 p -158.41 174.63 14.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.429 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.507 ' HB2' ' CD2' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -90.94 129.4 36.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 110.339 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.603 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -117.94 125.68 50.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.851 HD11 ' HB ' ' A' ' 160' ' ' VAL . 0.7 OUTLIER -95.08 141.62 28.5 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 122' ' ' ASP . 0.7 OUTLIER -160.0 150.08 18.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -100.7 136.95 39.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.227 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.15 57.28 1.06 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.452 1.095 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 13.2 tttt -61.77 122.22 14.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.41 38.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.964 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 116' ' ' ARG . . . 73.6 -56.57 2.08 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.466 1.104 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 115' ' ' GLY . 0.2 OUTLIER -37.87 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 0.773 . . . . 0.0 110.315 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 43.7 t -126.66 74.12 1.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.965 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -101.64 126.36 48.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 148.46 -63.26 0.42 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.484 1.115 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.58 151.46 21.96 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 0.777 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.764 ' HB2' HD21 ' A' ' 109' ' ' LEU . 17.8 m-85 -80.28 -167.07 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.967 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.576 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 0.3 OUTLIER -147.74 152.02 37.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.769 HG23 HG12 ' A' ' 160' ' ' VAL . 1.2 t -102.46 147.23 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.855 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -132.54 122.39 24.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.967 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.507 ' CD2' ' HB2' ' A' ' 107' ' ' ARG . 50.0 mt -97.44 113.19 24.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.632 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 2.6 mt -92.01 119.98 40.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.602 1.189 . . . . 0.0 109.219 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.586 ' HB2' ' HD2' ' A' ' 128' ' ' PRO . 4.1 p-10 -70.7 176.47 1.94 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.586 ' HD2' ' HB2' ' A' ' 127' ' ' ASN . 17.8 Cg_endo -75.05 53.1 3.25 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.541 1.811 . . . . 0.0 110.968 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.435 ' HB2' ' OD1' ' A' ' 127' ' ' ASN . 25.1 mt-30 -153.26 -44.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 141.88 -15.28 2.62 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.449 1.093 . . . . 0.0 111.011 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.65 ' CD ' ' CE1' ' A' ' 142' ' ' TYR . 0.0 OUTLIER -72.68 138.28 46.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.326 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.855 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -104.46 147.89 27.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 0.0 109.349 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.503 ' CE2' ' HB3' ' A' ' 127' ' ' ASN . 25.5 m-85 -118.77 125.73 50.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.154 . . . . 0.0 111.047 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.479 ' HG3' ' CE1' ' A' ' 124' ' ' TYR . 17.1 mtp180 -99.25 -7.61 26.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.525 ' HB2' HG12 ' A' ' 137' ' ' VAL . 36.5 p -141.38 147.22 37.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.973 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.665 ' CD ' ' CE2' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -63.46 -29.46 70.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.525 HG12 ' HB2' ' A' ' 135' ' ' SER . 0.5 OUTLIER -60.46 -48.16 89.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -59.57 -22.87 62.36 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.547 1.155 . . . . 0.0 110.269 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.638 ' HG ' ' CE2' ' A' ' 143' ' ' PHE . 12.0 tp -60.3 -50.5 73.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.229 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.703 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -70.67 -42.49 77.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -46.58 -48.54 19.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.55 1.156 . . . . 0.0 109.382 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.65 ' CE1' ' CD ' ' A' ' 131' ' ' LYS . 0.3 OUTLIER -83.88 -28.3 28.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.699 ' HB2' ' HA ' ' A' ' 140' ' ' ILE . 6.6 m-30 -79.61 -21.43 44.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.142 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.703 ' N ' ' O ' ' A' ' 140' ' ' ILE . 1.0 OUTLIER -57.15 -28.5 62.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.59 1.181 . . . . 0.0 110.305 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.44 ' HG3' ' N ' ' A' ' 146' ' ' VAL . 0.4 OUTLIER -94.1 -48.85 6.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.666 HG12 ' HA ' ' A' ' 143' ' ' PHE . 7.5 p -84.64 12.06 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.687 ' N ' ' O ' ' A' ' 143' ' ' PHE . . . 37.58 38.7 0.47 Allowed Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . 0.589 ' HB2' ' CD2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER 56.92 163.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.435 0.726 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.587 HG22 ' O ' ' A' ' 149' ' ' THR . 0.3 OUTLIER -160.17 103.98 1.47 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.42 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.503 ' CB ' ' O ' ' A' ' 149' ' ' THR . 1.4 t 85.9 -56.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.789 HD22 ' HE1' ' A' ' 105' ' ' TRP . 0.3 OUTLIER -107.59 137.67 45.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.479 ' CB ' ' CD ' ' A' ' 153' ' ' PRO . 0.4 OUTLIER -126.28 177.07 2.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.479 ' CD ' ' CB ' ' A' ' 152' ' ' ASP . 18.3 Cg_endo -74.96 -5.08 16.35 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.787 . . . . 0.0 111.026 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -104.26 -7.51 20.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -147.24 42.0 1.09 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.152 . . . . 0.0 109.337 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.665 ' CE2' ' CD ' ' A' ' 136' ' ' LYS . 7.0 p90 -77.22 -169.8 1.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.498 ' HB3' ' CD2' ' A' ' 125' ' ' LEU . 10.0 t0 -107.54 -99.81 0.36 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.749 ' HA ' HG11 ' A' ' 123' ' ' VAL . 68.4 m-85 57.24 104.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . 0.719 ' OG1' ' N ' ' A' ' 160' ' ' VAL . 1.2 p -112.08 -82.78 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.394 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.851 ' HB ' HD11 ' A' ' 109' ' ' LEU . 14.7 p -50.5 -39.98 18.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.602 1.189 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.473 ' HB ' ' H ' ' A' ' 123' ' ' VAL . 15.4 t -95.41 -22.95 17.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . 0.534 ' HA3' ' O ' ' A' ' 158' ' ' PHE . . . -75.13 -3.57 69.92 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.67 -9.65 59.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 102.1 -105.48 2.81 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.492 1.12 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 12.0 m -116.05 89.29 24.58 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.962 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -53.35 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.462 1.77 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.86 -83.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.572 1.17 . . . . 0.0 109.931 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 174.85 97.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 26.7 ttt85 -156.72 160.46 39.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.269 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 178.84 93.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.53 159.91 41.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? 179.83 86.73 0.19 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.401 ' HA ' ' HD3' ' A' ' 174' ' ' PRO . 18.3 Cg_endo -75.03 150.05 37.48 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.788 . . . . 0.0 110.956 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 173' ' ' PRO . 18.0 Cg_endo -75.03 -165.4 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.473 1.775 . . . . 0.0 111.02 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 176.96 132.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.19 151.42 1.66 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.09 . . . . 0.0 109.386 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -178.22 137.27 0.17 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -171.99 141.28 1.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 50.8 p 176.32 79.96 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.036 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . 0.477 ' O ' ' CB ' ' A' ' 181' ' ' LYS . 18.1 Cg_endo -75.05 158.45 42.01 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.445 1.761 . . . . 0.0 110.957 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.477 ' CB ' ' O ' ' A' ' 180' ' ' PRO . 0.5 OUTLIER 166.12 152.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 51.7 p 176.82 77.69 0.1 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.964 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -172.22 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.034 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . 141.33 110.04 0.8 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 4.5 t -172.66 146.72 1.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.957 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . 0.486 ' O ' ' CB ' ' A' ' 187' ' ' ARG . . . 125.86 -178.05 16.83 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.458 1.099 . . . . 0.0 111.051 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 186' ' ' GLY . 0.5 OUTLIER 84.02 159.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 110.319 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . 118.06 54.2 0.29 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.146 . . . . 0.0 111.055 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -121.42 5.83 10.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 0.79 . . . . 0.0 110.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . -55.92 137.2 46.88 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.59 1.181 . . . . 0.0 110.986 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 178.27 67.13 0.1 Allowed Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.541 0.789 . . . . 0.0 110.297 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 170.58 20.1 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.463 1.77 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.35 172.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.334 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . 150.44 63.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.471 1.107 . . . . 0.0 110.962 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 28.6 p -172.1 171.01 5.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.426 0.721 . . . . 0.0 110.047 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.553 1.158 . . . . 0.0 111.038 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -169.62 0.66 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.536 1.808 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -177.15 114.19 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.349 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 7.8 t -112.64 110.81 52.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -176.05 2.66 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.52 1.8 . . . . 0.0 111.02 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -169.37 144.88 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.301 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -159.88 153.83 23.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.43 131.48 0.94 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 1.073 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -132.17 169.41 16.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.8 t -176.26 91.03 0.27 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.471 1.107 . . . . 0.0 110.026 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -170.35 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.535 1.808 . . . . 0.0 110.95 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -151.01 -177.7 6.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.461 1.101 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -128.17 -47.31 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 1.175 . . . . 0.0 110.346 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 71.8 15.87 5.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.48 135.51 35.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.5 t -173.46 76.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.47 1.106 . . . . 0.0 110.035 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.455 ' N ' HD13 ' A' ' 88' ' ' ILE . 0.1 OUTLIER -57.92 -165.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.64 HG23 ' N ' ' A' ' 90' ' ' ARG . 0.6 OUTLIER -163.83 -152.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.259 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.64 ' N ' HG23 ' A' ' 89' ' ' ILE . 0.2 OUTLIER 175.1 174.37 0.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.27 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -144.1 172.8 12.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.03 171.16 14.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -166.52 94.37 0.11 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.448 1.092 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 115.95 4.44 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.798 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 2.1 ttm -175.18 34.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.8 p90 178.11 179.63 0.32 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.589 1.181 . . . . 0.0 110.948 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -165.09 174.23 10.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.369 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.423 ' N ' ' HD3' ' A' ' 99' ' ' PRO . 0.6 OUTLIER -139.45 63.71 28.74 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.619 ' O ' ' CD1' ' A' ' 105' ' ' TRP . 18.2 Cg_endo -74.98 54.3 3.59 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.492 1.785 . . . . 0.0 110.938 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.41 ' HB ' ' N ' ' A' ' 104' ' ' GLY . 12.6 p -84.56 76.69 10.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.601 ' N ' ' CD ' ' A' ' 102' ' ' PRO . 22.7 mt -62.02 -46.67 91.81 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 101' ' ' LEU . 18.4 Cg_endo -74.97 5.57 3.89 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.492 1.786 . . . . 0.0 111.047 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.52 ' CB ' ' O ' ' A' ' 102' ' ' PRO . 0.0 OUTLIER 88.32 5.23 0.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.41 ' N ' ' HB ' ' A' ' 100' ' ' THR . . . -173.03 92.32 0.09 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.619 ' CD1' ' O ' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -179.03 111.23 0.05 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.508 ' N ' ' CE3' ' A' ' 105' ' ' TRP . 6.9 t -152.54 146.54 25.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.396 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.612 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 5.5 ptp180 -94.75 128.26 41.33 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.611 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -111.71 122.76 48.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.829 HD21 ' HB2' ' A' ' 121' ' ' TYR . 2.2 tt -97.88 143.17 28.76 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.425 1.078 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.554 ' N ' HD23 ' A' ' 109' ' ' LEU . 4.0 mtpt -152.01 -174.67 4.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -93.58 128.64 39.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 110.327 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -60.23 2.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.9 156.6 45.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.92 39.56 1.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 109.954 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 116' ' ' ARG . . . 174.94 -73.4 0.08 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.606 1.191 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 115' ' ' GLY . 0.2 OUTLIER -38.94 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.533 0.784 . . . . 0.0 110.252 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 118' ' ' ALA . 47.8 t -127.87 39.53 3.84 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 109.977 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 117' ' ' SER . . . -39.91 139.0 0.71 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -161.2 -109.84 0.25 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.483 ' CB ' ' HG3' ' A' ' 166' ' ' PRO . 0.1 OUTLIER -105.76 148.09 27.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.829 ' HB2' HD21 ' A' ' 109' ' ' LEU . 40.0 m-85 -53.22 -171.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.562 ' O ' ' HA ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -139.28 153.53 47.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.343 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.977 HG21 ' OG1' ' A' ' 159' ' ' THR . 1.0 OUTLIER -111.38 150.19 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.799 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -129.82 122.25 28.37 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 111.033 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.809 HD13 ' OD2' ' A' ' 157' ' ' ASP . 66.0 mt -92.84 113.01 25.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.542 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 4.5 mt -94.37 123.39 46.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.545 ' CB ' ' CD ' ' A' ' 128' ' ' PRO . 1.0 OUTLIER -77.07 -179.97 1.4 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.33 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.545 ' CD ' ' CB ' ' A' ' 127' ' ' ASN . 18.4 Cg_endo -75.02 1.51 7.67 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.564 1.823 . . . . 0.0 111.013 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -104.41 -12.35 16.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 110.247 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 98.76 15.1 35.09 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.033 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.542 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 0.1 OUTLIER -93.94 124.69 38.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.288 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.799 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -94.25 140.85 29.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.842 ' CE1' ' CD2' ' A' ' 142' ' ' TYR . 6.3 m-85 -116.52 125.62 52.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.531 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 8.2 mtm180 -98.32 -9.43 25.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.204 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.4 t -142.5 148.1 37.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 109.974 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.579 ' HG3' ' CD1' ' A' ' 156' ' ' PHE . 1.2 tttm -63.94 -30.88 71.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 1.9 p -59.55 -46.49 92.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.599 ' O ' ' CD2' ' A' ' 142' ' ' TYR . 0.1 OUTLIER -62.63 -22.76 66.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.724 HD23 ' HA ' ' A' ' 153' ' ' PRO . 14.3 tp -58.23 -49.31 77.54 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.714 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -63.99 -48.0 87.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -48.98 -48.23 43.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.842 ' CD2' ' CE1' ' A' ' 133' ' ' PHE . 35.5 m-85 -78.89 -29.21 44.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.742 ' O ' ' N ' ' A' ' 147' ' ' GLY . 5.5 m-30 -81.24 -22.91 38.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.433 1.083 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.714 ' N ' ' O ' ' A' ' 140' ' ' ILE . 1.1 tm-20 -55.37 -29.02 57.62 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.425 1.078 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.499 ' CG ' ' N ' ' A' ' 146' ' ' VAL . 0.0 OUTLIER -89.82 -51.93 5.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.203 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.499 ' N ' ' CG ' ' A' ' 145' ' ' LYS . 12.3 p -84.61 12.46 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.742 ' N ' ' O ' ' A' ' 143' ' ' PHE . . . 37.7 32.46 0.11 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . 0.599 ' HB2' ' CD2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER 64.82 157.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.77 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 149' ' ' THR . 0.3 OUTLIER -156.48 105.96 2.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.439 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 149' ' ' THR . 0.1 OUTLIER 82.52 -71.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 110.019 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.415 HD23 ' H ' ' A' ' 151' ' ' LEU . 0.6 OUTLIER -82.26 128.72 34.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.464 ' OD2' ' N ' ' A' ' 155' ' ' ASP . 11.0 p30 -102.13 156.41 35.27 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 109.25 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . 0.724 ' HA ' HD23 ' A' ' 139' ' ' LEU . 18.2 Cg_endo -74.94 -15.97 20.6 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.609 1.847 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -80.63 -12.46 59.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.464 ' N ' ' OD2' ' A' ' 152' ' ' ASP . 0.3 OUTLIER -151.74 30.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.281 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.671 ' CZ ' ' HB3' ' A' ' 158' ' ' PHE . 5.7 p90 -48.85 146.94 2.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.809 ' OD2' HD13 ' A' ' 125' ' ' LEU . 0.0 OUTLIER -61.94 79.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.944 ' CD1' ' O ' ' A' ' 158' ' ' PHE . 0.1 OUTLIER -95.8 114.67 26.43 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . 0.977 ' OG1' HG21 ' A' ' 123' ' ' VAL . 1.1 p -108.6 -112.73 0.3 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.726 HG11 ' HG ' ' A' ' 109' ' ' LEU . 10.3 p -51.96 -38.19 22.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.47 ' HB ' ' H ' ' A' ' 123' ' ' VAL . 8.7 t -93.53 13.85 20.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.587 1.179 . . . . 0.0 110.419 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . 0.622 ' CA ' ' CD2' ' A' ' 158' ' ' PHE . . . -115.18 -98.85 2.21 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.545 1.153 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -25.03 51.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 110.308 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.426 ' O ' ' O ' ' A' ' 160' ' ' VAL . . . -103.16 37.75 3.57 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 78.5 p -83.95 123.58 75.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.531 0.783 . . . . 0.0 110.057 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . 0.483 ' HG3' ' CB ' ' A' ' 120' ' ' LYS . 18.2 Cg_endo -75.01 -74.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.503 1.791 . . . . 0.0 110.957 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 1.4 t 65.9 168.57 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.37 1.044 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -112.49 84.09 1.92 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.257 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 74.98 129.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -124.91 170.58 10.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.251 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -136.74 176.47 8.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -171.93 94.74 0.4 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 157.63 42.86 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -175.37 2.33 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.553 1.817 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -174.79 119.2 0.21 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.602 1.189 . . . . 0.0 109.301 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 177' ' ' ALA . 0.8 OUTLIER -156.44 168.89 25.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.592 1.183 . . . . 0.0 109.31 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . 0.525 ' HB2' ' O ' ' A' ' 176' ' ' LYS . . . 173.53 142.05 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.44 1.087 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -159.16 171.82 19.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.583 1.177 . . . . 0.0 109.278 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 32.4 p 178.89 90.16 0.17 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 109.959 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 172.41 16.43 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.531 1.806 . . . . 0.0 111.075 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -160.39 153.26 21.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 1.2 t -172.32 90.67 0.41 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.956 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -167.65 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.417 1.746 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -174.97 160.88 30.07 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.454 1.096 . . . . 0.0 111.015 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 80.8 p -165.69 166.59 17.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 0.732 . . . . 0.0 110.002 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . -156.75 -176.65 29.06 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.441 1.088 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -137.95 -177.75 4.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -170.65 118.53 0.76 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . 0.49 ' CG ' ' N ' ' A' ' 190' ' ' GLY . 0.3 OUTLIER -111.4 -149.88 0.45 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 0.795 . . . . 0.0 110.312 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' GLY . . . . . 0.49 ' N ' ' CG ' ' A' ' 189' ' ' ARG . . . -148.27 -141.1 3.44 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.492 1.12 . . . . 0.0 110.96 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.96 148.96 23.99 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.449 0.734 . . . . 0.0 110.312 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -174.51 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -167.28 146.51 5.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.591 1.182 . . . . 0.0 109.355 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . 80.57 121.13 0.45 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 7.0 p 178.8 -47.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.423 0.719 . . . . 0.0 109.998 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.461 1.101 . . . . 0.0 111.02 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.437 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 18.3 Cg_endo -75.08 -69.53 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.401 1.737 . . . . 0.0 110.989 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.437 ' HB3' ' O ' ' A' ' 73' ' ' PRO . . . 68.17 154.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.5 HG23 ' HD2' ' A' ' 76' ' ' PRO . 7.4 p -170.18 140.84 1.64 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . 0.5 ' HD2' HG23 ' A' ' 75' ' ' VAL . 18.5 Cg_endo -74.93 -175.72 2.49 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.546 1.814 . . . . 0.0 111.057 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.564 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 0.2 OUTLIER 173.45 169.3 0.16 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 77' ' ' GLU . . . 75.66 121.14 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.437 1.085 . . . . 0.0 109.268 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.657 ' O ' ' HB3' ' A' ' 80' ' ' ALA . 9.2 t -173.93 168.63 4.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.034 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 79' ' ' SER . . . 81.44 143.52 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.441 1.088 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 86.1 p -177.66 90.16 0.24 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.976 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -170.78 0.83 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.566 1.824 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.57 41.62 2.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 60.39 145.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.19 3.48 54.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -41.0 122.98 1.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.108 . . . . 0.0 110.39 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.7 t -122.49 162.86 20.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.977 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.8 mp -126.98 137.62 57.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.52 HG22 ' N ' ' A' ' 90' ' ' ARG . 19.6 mm -115.59 167.26 8.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.52 ' N ' HG22 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -152.59 176.02 12.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -175.6 175.38 2.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.66 -172.16 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.264 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -170.64 -74.87 0.04 OUTLIER Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.503 1.127 . . . . 0.0 111.08 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 173.85 13.81 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.39 1.731 . . . . 0.0 110.993 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 1.2 mtt -89.25 -7.0 56.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 60.52 128.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 175.64 128.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.17 152.09 24.31 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 109.333 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 65.94 6.06 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.437 1.757 . . . . 0.0 111.002 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.563 HG21 ' HA ' ' A' ' 106' ' ' THR . 9.6 t -133.24 -142.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 110.38 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.498 ' N ' ' OG1' ' A' ' 100' ' ' THR . 0.0 OUTLIER -93.41 112.98 58.89 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.449 ' O ' ' CB ' ' A' ' 103' ' ' GLU . 18.2 Cg_endo -75.03 57.56 4.63 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.42 1.748 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 102' ' ' PRO . 1.6 mt-10 164.15 -42.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -83.39 -107.62 0.52 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.442 1.089 . . . . 0.0 110.94 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TRP . . . . . 0.719 ' CE2' HD12 ' A' ' 151' ' ' LEU . 2.2 t90 -78.24 140.03 38.9 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 105' ' ' TRP . 21.7 p -158.88 143.09 15.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.079 . . . . 0.0 110.384 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.523 ' HA ' ' O ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -93.94 124.79 38.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.338 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.64 ' O ' ' N ' ' A' ' 124' ' ' TYR . 0.0 OUTLIER -114.27 122.33 46.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.941 HD21 ' CB ' ' A' ' 121' ' ' TYR . 5.8 tt -96.64 143.93 27.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.251 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.704 ' N ' HD23 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -159.62 150.42 19.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.317 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -100.92 136.66 40.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -40.66 -47.17 2.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.487 ' O ' ' CB ' ' A' ' 114' ' ' SER . 0.4 OUTLIER 62.72 135.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.183 . . . . 0.0 109.24 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 113' ' ' LYS . 0.5 OUTLIER 160.65 -32.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.043 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 102.24 -43.16 1.75 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.455 1.097 . . . . 0.0 111.051 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -38.53 -74.93 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 0.766 . . . . 0.0 110.324 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.4 t -126.98 70.18 1.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -96.24 138.38 33.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 173.73 -56.4 0.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.535 1.147 . . . . 0.0 111.023 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -97.56 153.59 18.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 0.768 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.979 ' HB2' HG21 ' A' ' 160' ' ' VAL . 0.9 OUTLIER -103.61 -166.03 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.404 1.065 . . . . 0.0 111.027 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.631 ' C ' ' CG1' ' A' ' 160' ' ' VAL . 1.3 t70 -148.71 143.68 26.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.547 1.154 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.785 HG21 ' OG1' ' A' ' 159' ' ' THR . 1.1 t -103.25 135.99 38.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.756 ' CD1' ' HB1' ' A' ' 132' ' ' ALA . 0.1 OUTLIER -115.8 124.76 51.55 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.704 HD12 ' CE2' ' A' ' 158' ' ' PHE . 50.5 mt -95.28 114.02 25.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ILE . . . . . 0.751 ' HA ' ' O ' ' A' ' 131' ' ' LYS . 4.9 mt -90.6 118.55 36.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.744 ' HB2' ' CD ' ' A' ' 128' ' ' PRO . 4.5 p30 -88.87 -170.16 0.24 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.768 ' O ' ' CB ' ' A' ' 129' ' ' GLN . 18.3 Cg_endo -74.95 123.67 8.08 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.768 ' CB ' ' O ' ' A' ' 128' ' ' PRO . 24.0 mt-30 117.93 -12.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 110.222 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 100.4 12.35 38.91 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.396 1.06 . . . . 0.0 111.068 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.751 ' O ' ' HA ' ' A' ' 126' ' ' ILE . 1.8 ttmt -79.11 145.66 33.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 0.796 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.756 ' HB1' ' CD1' ' A' ' 124' ' ' TYR . . . -121.26 152.77 38.5 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.497 1.123 . . . . 0.0 109.252 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 138' ' ' GLU . 13.2 m-85 -128.05 125.48 39.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.95 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ARG . . . . . 0.511 ' HG3' ' CZ ' ' A' ' 124' ' ' TYR . 2.6 mtp-105 -102.34 1.15 35.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.431 1.082 . . . . 0.0 110.311 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . 0.479 ' HB3' HG12 ' A' ' 137' ' ' VAL . 0.4 OUTLIER -141.79 147.83 37.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.058 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.589 ' HA ' ' CE2' ' A' ' 158' ' ' PHE . 12.9 ttpt -68.73 -21.01 64.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.479 HG12 ' HB3' ' A' ' 135' ' ' SER . 2.4 p -66.22 -44.91 91.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.576 1.173 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.57 ' HB3' ' CD1' ' A' ' 133' ' ' PHE . 2.5 tp10 -60.67 -24.01 65.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.164 . . . . 0.0 110.322 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 143' ' ' PHE . 10.9 tp -62.39 -49.02 77.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.771 ' O ' ' N ' ' A' ' 144' ' ' GLU . 0.1 OUTLIER -62.37 -44.66 99.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -42.7 -50.52 5.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.963 ' CD2' HG11 ' A' ' 146' ' ' VAL . 0.2 OUTLIER -89.02 -28.6 20.07 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.702 ' HB3' ' HA ' ' A' ' 140' ' ' ILE . 45.9 t80 -78.3 -20.59 51.19 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . 0.771 ' N ' ' O ' ' A' ' 140' ' ' ILE . 4.9 tm-20 -49.89 -50.59 45.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' LYS . . . . . 0.594 ' HB3' ' O ' ' A' ' 144' ' ' GLU . 0.0 OUTLIER 170.23 49.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.353 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . 0.963 HG11 ' CD2' ' A' ' 142' ' ' TYR . 1.3 p -96.5 -10.98 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 110.44 48.32 0.76 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.534 1.147 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ASP . . . . . 0.546 ' OD2' HG12 ' A' ' 146' ' ' VAL . 44.3 m-20 -129.59 115.97 18.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.569 0.805 . . . . 0.0 109.283 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 149' ' ' THR . 0.6 OUTLIER -126.43 105.58 8.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.117 . . . . 0.0 110.454 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.459 ' CB ' ' O ' ' A' ' 149' ' ' THR . 3.8 t 161.85 -66.2 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.127 . . . . 0.0 110.015 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' LEU . . . . . 0.886 HD11 ' OD1' ' A' ' 157' ' ' ASP . 2.2 mt -84.5 139.54 32.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . 0.518 ' HA ' ' CE1' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -127.96 154.87 78.37 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -6.05 17.57 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.504 1.791 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' A' ' 155' ' ' ASP . 14.7 t30 -97.09 -10.27 26.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ASP . . . . . 0.419 ' OD1' ' O ' ' A' ' 154' ' ' ASN . 0.8 OUTLIER -154.02 44.15 0.56 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.264 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.595 ' HA ' HD22 ' A' ' 151' ' ' LEU . 7.6 p90 -54.96 -169.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.429 1.081 . . . . 0.0 111.03 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.886 ' OD1' HD11 ' A' ' 151' ' ' LEU . 58.4 m-20 -112.7 -14.01 13.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.704 ' CE2' HD12 ' A' ' 125' ' ' LEU . 70.0 m-85 -44.24 117.56 1.27 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' THR . . . . . 0.785 ' OG1' HG21 ' A' ' 123' ' ' VAL . 61.8 p -110.08 -86.22 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.393 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.979 HG21 ' HB2' ' A' ' 121' ' ' TYR . 6.2 p -50.22 -27.22 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.408 1.067 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' THR . . . . . 0.573 HG21 ' O ' ' A' ' 123' ' ' VAL . 7.3 t -120.38 21.52 11.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.348 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' GLY . . . . . 0.496 ' HA3' ' O ' ' A' ' 158' ' ' PHE . . . -138.19 -77.42 0.07 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.427 1.079 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.0 -11.06 59.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 0.769 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.04 -100.96 2.74 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 8.2 t -89.55 116.83 67.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.771 . . . . 0.0 110.011 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -53.84 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.457 1.767 . . . . 0.0 110.996 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.99 -163.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.103 . . . . 0.0 109.947 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' ARG . . . . . . . . . . . . . 5.1 ttp180 -123.29 81.14 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.44 174.76 0.39 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -179.71 121.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.37 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -128.72 151.2 49.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.291 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.73 117.67 0.4 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 110.27 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.433 ' HA ' ' HD3' ' A' ' 174' ' ' PRO . 18.2 Cg_endo -75.03 141.27 26.35 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 173' ' ' PRO . 18.5 Cg_endo -74.94 -72.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.507 1.793 . . . . 0.0 111.008 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 78.93 140.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 3.2 tmtt? -163.58 125.45 2.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.556 1.16 . . . . 0.0 109.261 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' ALA . . . . . . . . . . . . . . . -124.24 172.71 8.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -171.28 137.17 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 0.0 109.252 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.31 149.37 69.6 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.518 1.136 . . . . 0.0 110.003 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 177.66 8.31 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.512 1.796 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -155.49 145.0 21.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.39 113.72 4.79 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.035 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -170.58 0.8 Allowed 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.48 1.779 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' GLY . . . . . . . . . . . . . . . -169.91 173.25 44.02 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' SER . . . . . . . . . . . . . 30.6 t -179.66 161.94 1.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 110.026 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 152.03 115.01 0.63 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.57 154.72 2.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 0.791 . . . . 0.0 110.288 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' GLY . . . . . . . . . . . . . . . -109.51 -115.68 3.78 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.581 1.176 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -119.83 -66.63 1.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 0.731 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' GLY . . . . . . . . . . . . . . . 47.74 69.91 0.83 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.007 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.46 94.32 0.59 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 0.755 . . . . 0.0 110.282 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' PRO . . . . . 0.42 ' O ' ' N ' ' A' ' 194' ' ' GLY . 18.2 Cg_endo -75.03 -175.43 2.36 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.579 1.831 . . . . 0.0 111.027 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.25 98.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 192' ' ' PRO . . . -139.81 63.61 0.54 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.53 161.47 1.34 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 0.741 . . . . 0.0 110.016 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.962 . . . . . . . . 0 0 . 1 stop_ save_